4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C13H17N5OS2 — CID 116664009

IUPAC4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2sc(N3CCCC3)nc2N)n1
InChIInChI=1S/C13H17N5OS2/c1-8-7-20-9(16-8)6-15-12(19)10-11(14)17-13(21-10)18-4-2-3-5-18/h7H,2-6,14H2,1H3,(H,15,19)
InChIKeyDXKRCFCZBOEQBL-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.02
Rot. Bonds4

About 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116664009) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116664009
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2sc(N3CCCC3)nc2N)n1
InChIInChI=1S/C13H17N5OS2/c1-8-7-20-9(16-8)6-15-12(19)10-11(14)17-13(21-10)18-4-2-3-5-18/h7H,2-6,14H2,1H3,(H,15,19)
InChIKeyDXKRCFCZBOEQBL-UHFFFAOYSA-N
XLogP2.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106384366
4-amino-N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116671653
4-(azocan-1-yl)-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26338976
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667583
4-amino-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669024
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669758
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-N-pent-3-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673390
2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
CID 116672202
4-amino-N-(5-amino-5-oxopentyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106242065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 116664009) is 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is Cc1csc(CNC(=O)c2sc(N3CCCC3)nc2N)n1.
What is the InChIKey of 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DXKRCFCZBOEQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-8-7-20-9(16-8)6-15-12(19)10-11(14)17-13(21-10)18-4-2-3-5-18/h7H,2-6,14H2,1H3,(H,15,19).
What are the key properties of 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 323.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).