2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine

C10H11ClN4S — CID 146382471

IUPAC2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine
SMILESCC(C)Nc1cc(Cl)ncc1-c1nncs1
InChIInChI=1S/C10H11ClN4S/c1-6(2)14-8-3-9(11)12-4-7(8)10-15-13-5-16-10/h3-6H,1-2H3,(H,12,14)
InChIKeyUJBPCHNLLFMCJU-UHFFFAOYSA-N
MW254.75 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine

2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine (PubChem CID 146382471) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine
PubChem CID146382471
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine
SMILESCC(C)Nc1cc(Cl)ncc1-c1nncs1
InChIInChI=1S/C10H11ClN4S/c1-6(2)14-8-3-9(11)12-4-7(8)10-15-13-5-16-10/h3-6H,1-2H3,(H,12,14)
InChIKeyUJBPCHNLLFMCJU-UHFFFAOYSA-N
XLogP3.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole
CID 176885351
2-bromo-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine;methyl cyclobutanecarboxylate
CID 153404962
2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine
CID 170305579
2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine
CID 171482381
[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 121347800
2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 134342695
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
carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine
CID 158890623
ethyl 5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1H-pyrrole-3-carboxylate
CID 141373422
ethyl 5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 141373410
tert-butyl N-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-2-methyl-1H-pyrrol-3-yl]carbamate
CID 141373394
2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine
CID 175936917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine (CID 146382471) is 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine is CC(C)Nc1cc(Cl)ncc1-c1nncs1.
What is the InChIKey of 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine?
The InChIKey is UJBPCHNLLFMCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-6(2)14-8-3-9(11)12-4-7(8)10-15-13-5-16-10/h3-6H,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine?
2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine has a molecular weight of 254.75 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine is sourced from PubChem (CID 146382471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).