5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid

C17H15N3O3S2 — CID 141014741

IUPAC5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid
SMILESCNC(=O)Nc1snc(SCc2ccc3ccccc3c2)c1C(=O)O
InChIInChI=1S/C17H15N3O3S2/c1-18-17(23)19-14-13(16(21)22)15(20-25-14)24-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,21,22)(H2,18,19,23)
InChIKeyWWMLSJQPGDDMJS-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.04
Rot. Bonds5

About 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid

5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid (PubChem CID 141014741) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid
PubChem CID141014741
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid
SMILESCNC(=O)Nc1snc(SCc2ccc3ccccc3c2)c1C(=O)O
InChIInChI=1S/C17H15N3O3S2/c1-18-17(23)19-14-13(16(21)22)15(20-25-14)24-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,21,22)(H2,18,19,23)
InChIKeyWWMLSJQPGDDMJS-UHFFFAOYSA-N
XLogP4.04
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-tert-butylphenyl)methylsulfanyl]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid
CID 18549928
5-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid
CID 18550133
3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 18550614
6-amino-2-(naphthalen-2-ylmethylsulfanyl)pyrimidine-4-carboxylic acid
CID 18799746
5-(cyclopropylmethylcarbamoylamino)-3-[(3,4-dimethylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
CID 54255455
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
3-benzylsulfanyl-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54309791
1-methyl-3-naphthalen-2-ylurea
CID 3454681
3,5-bis(benzylsulfanyl)-N-(4-methoxyphenyl)-1,2-thiazole-4-carboxamide
CID 11496649
3-methyl-5-[[3-(methylsulfanylmethyl)benzoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60870323
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
CID 61189207

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid (CID 141014741) is 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid is CNC(=O)Nc1snc(SCc2ccc3ccccc3c2)c1C(=O)O.
What is the InChIKey of 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid?
The InChIKey is WWMLSJQPGDDMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-18-17(23)19-14-13(16(21)22)15(20-25-14)24-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,21,22)(H2,18,19,23).
What are the key properties of 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid?
5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid has a molecular weight of 373.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoylamino)-3-(naphthalen-2-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 141014741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).