4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide

C11H16N4OS — CID 116667658

IUPAC4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NC1CC1
InChIInChI=1S/C11H16N4OS/c12-9-8(10(16)13-7-4-5-7)17-11(15-9)14-6-2-1-3-6/h6-7H,1-5,12H2,(H,13,16)(H,14,15)
InChIKeyMEXAJCLZNCOVDG-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.58
Rot. Bonds4

About 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 116667658) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID116667658
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NC1CC1
InChIInChI=1S/C11H16N4OS/c12-9-8(10(16)13-7-4-5-7)17-11(15-9)14-6-2-1-3-6/h6-7H,1-5,12H2,(H,13,16)(H,14,15)
InChIKeyMEXAJCLZNCOVDG-UHFFFAOYSA-N
XLogP1.58
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-2-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-(cyclobutylamino)-1,3-thiazole-5-carboxamide
CID 116666925
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 114633060
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclobutylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174588
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide (CID 116667658) is 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide is Nc1nc(NC2CCC2)sc1C(=O)NC1CC1.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is MEXAJCLZNCOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c12-9-8(10(16)13-7-4-5-7)17-11(15-9)14-6-2-1-3-6/h6-7H,1-5,12H2,(H,13,16)(H,14,15).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).