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

C13H17N5OS2 — CID 116672585

IUPAC4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2sc(NC3CC3)nc2N)s1
InChIInChI=1S/C13H17N5OS2/c1-6-5-15-12(20-6)7(2)16-11(19)9-10(14)18-13(21-9)17-8-3-4-8/h5,7-8H,3-4,14H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAALBSWVEIFFXCT-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.56
Rot. Bonds5

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

4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116672585) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116672585
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2sc(NC3CC3)nc2N)s1
InChIInChI=1S/C13H17N5OS2/c1-6-5-15-12(20-6)7(2)16-11(19)9-10(14)18-13(21-9)17-8-3-4-8/h5,7-8H,3-4,14H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAALBSWVEIFFXCT-UHFFFAOYSA-N
XLogP2.56
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663853
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
4-amino-2-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]-1,3-thiazole-5-carboxamide
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4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673185
4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663684
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
CID 116663846
4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667273
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-2-(cyclopropylamino)-N-(2-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 116673098
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116672585) is 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1cnc(C(C)NC(=O)c2sc(NC3CC3)nc2N)s1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AALBSWVEIFFXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-6-5-15-12(20-6)7(2)16-11(19)9-10(14)18-13(21-9)17-8-3-4-8/h5,7-8H,3-4,14H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 323.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).