3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid

C12H18N2O2S — CID 107415757

IUPAC3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCC2CCC(C)C2)c1C(=O)O
InChIInChI=1S/C12H18N2O2S/c1-7-3-4-9(5-7)6-13-11-10(12(15)16)8(2)14-17-11/h7,9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeySNIWGZXYMWEPPK-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.00
Rot. Bonds4

About 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid (PubChem CID 107415757) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid
PubChem CID107415757
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCC2CCC(C)C2)c1C(=O)O
InChIInChI=1S/C12H18N2O2S/c1-7-3-4-9(5-7)6-13-11-10(12(15)16)8(2)14-17-11/h7,9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeySNIWGZXYMWEPPK-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylic acid
CID 79402530
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 114137408
5-[(3,4-dimethylcyclohexyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402940
4,5-dimethyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 107414198
3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106740296
3-methyl-5-(thiolan-3-ylamino)-1,2-thiazole-4-carboxylic acid
CID 103065148
5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402590
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944
5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402056
5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid (CID 107415757) is 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NCC2CCC(C)C2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is SNIWGZXYMWEPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-3-4-9(5-7)6-13-11-10(12(15)16)8(2)14-17-11/h7,9,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 107415757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).