4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide

C11H18N4OS — CID 116665374

IUPAC4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCC2)s1
InChIInChI=1S/C11H18N4OS/c1-2-6-13-11-15-9(12)8(17-11)10(16)14-7-4-3-5-7/h7H,2-6,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyCTFWQKDHJDWHON-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.83
Rot. Bonds5

About 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116665374) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116665374
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2CCC2)s1
InChIInChI=1S/C11H18N4OS/c1-2-6-13-11-15-9(12)8(17-11)10(16)14-7-4-3-5-7/h7H,2-6,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyCTFWQKDHJDWHON-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,1-dioxothian-3-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666460
4-amino-N-(3,5-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667071
4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668414
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664088
4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663544
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-N-[2-(oxolan-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664626
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116665374) is 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC2CCC2)s1.
What is the InChIKey of 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CTFWQKDHJDWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-6-13-11-15-9(12)8(17-11)10(16)14-7-4-3-5-7/h7H,2-6,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 254.36 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-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).