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

C14H22N4OS — CID 103381201

IUPAC3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESCN(c1snc(N)c1C(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C14H22N4OS/c1-18(10-5-3-2-4-6-10)14-11(12(15)17-20-14)13(19)16-9-7-8-9/h9-10H,2-8H2,1H3,(H2,15,17)(H,16,19)
InChIKeyARWWIJBOOZBAPH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.39
Rot. Bonds4

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

3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide (PubChem CID 103381201) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
PubChem CID103381201
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESCN(c1snc(N)c1C(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C14H22N4OS/c1-18(10-5-3-2-4-6-10)14-11(12(15)17-20-14)13(19)16-9-7-8-9/h9-10H,2-8H2,1H3,(H2,15,17)(H,16,19)
InChIKeyARWWIJBOOZBAPH-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 114231035
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
CID 103380188
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379718
3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379419
3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381914
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide (CID 103381201) is 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide is CN(c1snc(N)c1C(=O)NC1CC1)C1CCCCC1.
What is the InChIKey of 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The InChIKey is ARWWIJBOOZBAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-18(10-5-3-2-4-6-10)14-11(12(15)17-20-14)13(19)16-9-7-8-9/h9-10H,2-8H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).