3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide

C14H17N5OS — CID 103382902

IUPAC3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide
SMILESCC(Nc1snc(N)c1C(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C14H17N5OS/c1-8(9-3-2-6-16-7-9)17-14-11(12(15)19-21-14)13(20)18-10-4-5-10/h2-3,6-8,10,17H,4-5H2,1H3,(H2,15,19)(H,18,20)
InChIKeyFCXURWGDKDUTCL-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.19
Rot. Bonds5

About 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103382902) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide
PubChem CID103382902
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide
SMILESCC(Nc1snc(N)c1C(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C14H17N5OS/c1-8(9-3-2-6-16-7-9)17-14-11(12(15)19-21-14)13(20)18-10-4-5-10/h2-3,6-8,10,17H,4-5H2,1H3,(H2,15,19)(H,18,20)
InChIKeyFCXURWGDKDUTCL-UHFFFAOYSA-N
XLogP2.19
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
CID 103380188
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide (CID 103382902) is 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide is CC(Nc1snc(N)c1C(=O)NC1CC1)c1cccnc1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is FCXURWGDKDUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-8(9-3-2-6-16-7-9)17-14-11(12(15)19-21-14)13(20)18-10-4-5-10/h2-3,6-8,10,17H,4-5H2,1H3,(H2,15,19)(H,18,20).
What are the key properties of 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).