[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C15H18ClN5O2S — CID 121347800

IUPAC[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC(C)Nc1cc(Cl)ncc1-c1nnc(C(=O)N2CC[C@@H](O)C2)s1
InChIInChI=1S/C15H18ClN5O2S/c1-8(2)18-11-5-12(16)17-6-10(11)13-19-20-14(24-13)15(23)21-4-3-9(22)7-21/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyJUJUIIPZESECAN-SECBINFHSA-N
MW367.86 g/mol
LogP2.28
Rot. Bonds4

About [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 121347800) has the molecular formula C15H18ClN5O2S and a molecular weight of 367.86 g/mol. Its IUPAC name is [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID121347800
Molecular FormulaC15H18ClN5O2S
Molecular Weight367.86 g/mol
Exact Mass367.09
IUPAC Name[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC(C)Nc1cc(Cl)ncc1-c1nnc(C(=O)N2CC[C@@H](O)C2)s1
InChIInChI=1S/C15H18ClN5O2S/c1-8(2)18-11-5-12(16)17-6-10(11)13-19-20-14(24-13)15(23)21-4-3-9(22)7-21/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyJUJUIIPZESECAN-SECBINFHSA-N
XLogP2.28
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxypyrrolidin-1-yl)-[5-[6-[3-(1-methylpyrazol-4-yl)phenyl]-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]methanone
CID 121347838
[1-[5-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazole-2-carbonyl]piperidin-3-yl]carbamic acid
CID 146441485
2-[[5-[5-[(1S,5R)-8-acetamido-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-thiadiazol-2-yl]-2-chloro-4-pyridinyl]amino]propanamide
CID 156514361
7-[4-(propan-2-ylamino)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146441594
N-[3-[5-[6-chloro-4-[[(1R)-1-cyanoethyl]amino]-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 153459187
tert-butyl N-[4-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]carbamate
CID 146393531
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957023
(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 114089622
(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80617390
(3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291069
[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 71667710
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 111561381

Frequently Asked Questions

What is the IUPAC name of [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 121347800) is [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CC(C)Nc1cc(Cl)ncc1-c1nnc(C(=O)N2CC[C@@H](O)C2)s1.
What is the InChIKey of [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is JUJUIIPZESECAN-SECBINFHSA-N. The full InChI is InChI=1S/C15H18ClN5O2S/c1-8(2)18-11-5-12(16)17-6-10(11)13-19-20-14(24-13)15(23)21-4-3-9(22)7-21/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 367.86 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 121347800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).