5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide

C17H24N8O2S — CID 71573090

IUPAC5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)sn1
InChIInChI=1S/C17H24N8O2S/c1-25(2)17(27)11-7-13(28-24-11)23-16-14(15(19)26)20-8-12(22-16)21-10-6-4-3-5-9(10)18/h7-10H,3-6,18H2,1-2H3,(H2,19,26)(H2,21,22,23)/t9-,10+/m0/s1
InChIKeyJUDWYPXFWLLZNY-VHSXEESVSA-N
MW404.50 g/mol
LogP1.16
Rot. Bonds6

About 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide

5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide (PubChem CID 71573090) has the molecular formula C17H24N8O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide
PubChem CID71573090
Molecular FormulaC17H24N8O2S
Molecular Weight404.50 g/mol
Exact Mass404.17
IUPAC Name5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)sn1
InChIInChI=1S/C17H24N8O2S/c1-25(2)17(27)11-7-13(28-24-11)23-16-14(15(19)26)20-8-12(22-16)21-10-6-4-3-5-9(10)18/h7-10H,3-6,18H2,1-2H3,(H2,19,26)(H2,21,22,23)/t9-,10+/m0/s1
InChIKeyJUDWYPXFWLLZNY-VHSXEESVSA-N
XLogP1.16
TPSA152.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide (CID 71573090) is 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide is CN(C)C(=O)c1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)sn1.
What is the InChIKey of 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide?
The InChIKey is JUDWYPXFWLLZNY-VHSXEESVSA-N. The full InChI is InChI=1S/C17H24N8O2S/c1-25(2)17(27)11-7-13(28-24-11)23-16-14(15(19)26)20-8-12(22-16)21-10-6-4-3-5-9(10)18/h7-10H,3-6,18H2,1-2H3,(H2,19,26)(H2,21,22,23)/t9-,10+/m0/s1.
What are the key properties of 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide?
5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 71573090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).