5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C13H19N3O3S — CID 79402566

IUPAC5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CC2(N)CCCCC2)c1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8-10(12(18)19)11(20-16-8)15-9(17)7-13(14)5-3-2-4-6-13/h2-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeySXLKOQKCDSCRLO-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.14
Rot. Bonds4

About 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402566) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402566
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CC2(N)CCCCC2)c1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8-10(12(18)19)11(20-16-8)15-9(17)7-13(14)5-3-2-4-6-13/h2-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeySXLKOQKCDSCRLO-UHFFFAOYSA-N
XLogP2.14
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 104678413
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
3-methyl-5-[[2-(propan-2-ylamino)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79402493
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944
2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
CID 64676889
5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488
3-methyl-5-(3-methylpentanoylamino)-1,2-thiazole-4-carboxylic acid
CID 114873656
3-methyl-5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60868642
5-(but-2-ynoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107986520
5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401946
5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869578
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402566) is 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)CC2(N)CCCCC2)c1C(=O)O.
What is the InChIKey of 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is SXLKOQKCDSCRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-10(12(18)19)11(20-16-8)15-9(17)7-13(14)5-3-2-4-6-13/h2-7,14H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).