cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H14N2O3S — CID 97318338

IUPACcis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H14N2O3S/c1-6-9(17-5-12-6)10(14)13-8-3-2-7(4-8)11(15)16/h5,7-8H,2-4H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyOODLAGKRQQTLMH-JGVFFNPUSA-N
MW254.31 g/mol
LogP1.43
Rot. Bonds3

About cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 97318338) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID97318338
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namecis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C11H14N2O3S/c1-6-9(17-5-12-6)10(14)13-8-3-2-7(4-8)11(15)16/h5,7-8H,2-4H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyOODLAGKRQQTLMH-JGVFFNPUSA-N
XLogP1.43
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319718
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
cis-(1R,3S)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677737
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675402
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 105104931
cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675305
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166343550
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 97318338) is cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1ncsc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OODLAGKRQQTLMH-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-9(17-5-12-6)10(14)13-8-3-2-7(4-8)11(15)16/h5,7-8H,2-4H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97318338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).