4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide

C14H17N5OS — CID 116667439

IUPAC4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H17N5OS/c15-9-6-7-19(8-9)14-18-12(16)11(21-14)13(20)17-10-4-2-1-3-5-10/h1-5,9H,6-8,15-16H2,(H,17,20)
InChIKeyWYERWHYDPLFLLZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.51
Rot. Bonds3

About 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide

4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 116667439) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID116667439
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H17N5OS/c15-9-6-7-19(8-9)14-18-12(16)11(21-14)13(20)17-10-4-2-1-3-5-10/h1-5,9H,6-8,15-16H2,(H,17,20)
InChIKeyWYERWHYDPLFLLZ-UHFFFAOYSA-N
XLogP1.51
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-but-2-ynyl-1,3-thiazole-5-carboxamide
CID 116673068
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
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4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 95732618
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116673785
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106412637
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-ethoxypropyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide (CID 116667439) is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide is Nc1nc(N2CCC(N)C2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WYERWHYDPLFLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-9-6-7-19(8-9)14-18-12(16)11(21-14)13(20)17-10-4-2-1-3-5-10/h1-5,9H,6-8,15-16H2,(H,17,20).
What are the key properties of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide?
4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).