4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

C10H16N4OS — CID 116667308

IUPAC4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCCC2CC2)s1
InChIInChI=1S/C10H16N4OS/c1-12-10-14-8(11)7(16-10)9(15)13-5-4-6-2-3-6/h6H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyDHPUCWXWMDUHOF-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.30
Rot. Bonds5

About 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116667308) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116667308
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCCC2CC2)s1
InChIInChI=1S/C10H16N4OS/c1-12-10-14-8(11)7(16-10)9(15)13-5-4-6-2-3-6/h6H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyDHPUCWXWMDUHOF-UHFFFAOYSA-N
XLogP1.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666781
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106343628
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116666452
4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085
4-amino-2-(methylamino)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116663035
4-amino-N-[2-(furan-2-yl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663748

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116667308) is 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NCCC2CC2)s1.
What is the InChIKey of 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is DHPUCWXWMDUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-12-10-14-8(11)7(16-10)9(15)13-5-4-6-2-3-6/h6H,2-5,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).