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

C12H18N4O2S — CID 116671757

IUPAC4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCC1(CO)CC1
InChIInChI=1S/C12H18N4O2S/c13-9-8(19-11(16-9)15-7-1-2-7)10(18)14-5-12(6-17)3-4-12/h7,17H,1-6,13H2,(H,14,18)(H,15,16)
InChIKeyCOTNAXXQSPIFIN-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.80
Rot. Bonds6

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

4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116671757) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID116671757
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCC1(CO)CC1
InChIInChI=1S/C12H18N4O2S/c13-9-8(19-11(16-9)15-7-1-2-7)10(18)14-5-12(6-17)3-4-12/h7,17H,1-6,13H2,(H,14,18)(H,15,16)
InChIKeyCOTNAXXQSPIFIN-UHFFFAOYSA-N
XLogP0.80
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 114102698
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
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-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
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-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclopropylamino)-N-(2-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 116673098

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide (CID 116671757) is 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide is Nc1nc(NC2CC2)sc1C(=O)NCC1(CO)CC1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is COTNAXXQSPIFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-9-8(19-11(16-9)15-7-1-2-7)10(18)14-5-12(6-17)3-4-12/h7,17H,1-6,13H2,(H,14,18)(H,15,16).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).