[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C17H26N4OS — CID 97061951

IUPAC[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC([C@@H]2CCN(C(=O)c3csc(NC4CC4)n3)C2)CC1
InChIInChI=1S/C17H26N4OS/c1-20-7-4-12(5-8-20)13-6-9-21(10-13)16(22)15-11-23-17(19-15)18-14-2-3-14/h11-14H,2-10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyZDABLJWATIPMGG-CYBMUJFWSA-N
MW334.49 g/mol
LogP2.52
Rot. Bonds4

About [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 97061951) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID97061951
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC([C@@H]2CCN(C(=O)c3csc(NC4CC4)n3)C2)CC1
InChIInChI=1S/C17H26N4OS/c1-20-7-4-12(5-8-20)13-6-9-21(10-13)16(22)15-11-23-17(19-15)18-14-2-3-14/h11-14H,2-10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyZDABLJWATIPMGG-CYBMUJFWSA-N
XLogP2.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 155950204
4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 79399978
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 648500
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 66390979
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568637
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 97061951) is [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CN1CCC([C@@H]2CCN(C(=O)c3csc(NC4CC4)n3)C2)CC1.
What is the InChIKey of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZDABLJWATIPMGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-20-7-4-12(5-8-20)13-6-9-21(10-13)16(22)15-11-23-17(19-15)18-14-2-3-14/h11-14H,2-10H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 334.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97061951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).