cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C12H17N3O3S — CID 106319718

IUPACcis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-7-10(19-6-14-7)5-13-12(18)15-9-3-2-8(4-9)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H2,13,15,18)/t8-,9+/m1/s1
InChIKeyDKXVEZDTCNYBOW-BDAKNGLRSA-N
MW283.35 g/mol
LogP1.50
Rot. Bonds4

About cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106319718) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106319718
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namecis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-7-10(19-6-14-7)5-13-12(18)15-9-3-2-8(4-9)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H2,13,15,18)/t8-,9+/m1/s1
InChIKeyDKXVEZDTCNYBOW-BDAKNGLRSA-N
XLogP1.50
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(2R,4S)-2-phenyloxan-4-yl]urea
CID 97308509
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032039
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
3-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55147887
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106005432
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
(2S,4R)-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842548
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 106319718) is cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is Cc1ncsc1CNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is DKXVEZDTCNYBOW-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-10(19-6-14-7)5-13-12(18)15-9-3-2-8(4-9)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H2,13,15,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).