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

C12H18N4OS — CID 114102698

IUPAC4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC1(CNC(=O)c2sc(NC3CC3)nc2N)CC1
InChIInChI=1S/C12H18N4OS/c1-12(4-5-12)6-14-10(17)8-9(13)16-11(18-8)15-7-2-3-7/h7H,2-6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyNLSAVTLGIJLVGU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.83
Rot. Bonds5

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

4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 114102698) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID114102698
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC1(CNC(=O)c2sc(NC3CC3)nc2N)CC1
InChIInChI=1S/C12H18N4OS/c1-12(4-5-12)6-14-10(17)8-9(13)16-11(18-8)15-7-2-3-7/h7H,2-6,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyNLSAVTLGIJLVGU-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 116666359
4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 116671757
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 106280952
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclopropylamino)-N-(2-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 116673098
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671641

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide (CID 114102698) is 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide is CC1(CNC(=O)c2sc(NC3CC3)nc2N)CC1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NLSAVTLGIJLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(4-5-12)6-14-10(17)8-9(13)16-11(18-8)15-7-2-3-7/h7H,2-6,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114102698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).