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

C14H23N5OS — CID 116670886

IUPAC4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
SMILESCC1(NC(=O)c2sc(N3CCC(N)C3)nc2N)CCCC1
InChIInChI=1S/C14H23N5OS/c1-14(5-2-3-6-14)18-12(20)10-11(16)17-13(21-10)19-7-4-9(15)8-19/h9H,2-8,15-16H2,1H3,(H,18,20)
InChIKeyIBCFRDOLEJKLAZ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.33
Rot. Bonds3

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

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide (PubChem CID 116670886) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
PubChem CID116670886
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
SMILESCC1(NC(=O)c2sc(N3CCC(N)C3)nc2N)CCCC1
InChIInChI=1S/C14H23N5OS/c1-14(5-2-3-6-14)18-12(20)10-11(16)17-13(21-10)19-7-4-9(15)8-19/h9H,2-8,15-16H2,1H3,(H,18,20)
InChIKeyIBCFRDOLEJKLAZ-UHFFFAOYSA-N
XLogP1.33
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825
4-amino-N-(1-methylcyclopentyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670895
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705
4-amino-2-(3-aminopyrrolidin-1-yl)-N-but-2-ynyl-1,3-thiazole-5-carboxamide
CID 116673068
4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672709
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
CID 116673365
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 116673666
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116672973
4-amino-2-(3-aminopyrrolidin-1-yl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116674057
4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667439
4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 95732618
4-amino-2-(3-aminopiperidin-1-yl)-N-but-3-en-2-yl-1,3-thiazole-5-carboxamide
CID 116672879

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide (CID 116670886) is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide is CC1(NC(=O)c2sc(N3CCC(N)C3)nc2N)CCCC1.
What is the InChIKey of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IBCFRDOLEJKLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-14(5-2-3-6-14)18-12(20)10-11(16)17-13(21-10)19-7-4-9(15)8-19/h9H,2-8,15-16H2,1H3,(H,18,20).
What are the key properties of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.33, 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-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).