1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea

C15H13N5OS2 — CID 3003057

IUPAC1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea
SMILESCc1nnsc1C(=O)NNC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H13N5OS2/c1-9-13(23-20-17-9)14(21)18-19-15(22)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,21)(H2,16,19,22)
InChIKeyRPVXTYRRAGLPOA-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.63
Rot. Bonds2

About 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea

1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea (PubChem CID 3003057) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea.

Molecular Properties

Compound Name1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea
PubChem CID3003057
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea
SMILESCc1nnsc1C(=O)NNC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H13N5OS2/c1-9-13(23-20-17-9)14(21)18-19-15(22)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,21)(H2,16,19,22)
InChIKeyRPVXTYRRAGLPOA-UHFFFAOYSA-N
XLogP2.63
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
CID 57396205
1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea
CID 9085295
naphthalen-2-yl 4-methylthiadiazole-5-carboxylate
CID 141234625
4-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-9-phenylnonan-2-yl]thiadiazole-5-carboxamide
CID 69319752
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
1-[4-methyl-5-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]-3-phenylthiourea
CID 24938319
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954734
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
4-methyl-N-[(4-pentylphenyl)carbamothioyl]thiadiazole-5-carboxamide
CID 21041739

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea?
The IUPAC name of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea (CID 3003057) is 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea.
What is the SMILES notation for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea?
The canonical SMILES for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea is Cc1nnsc1C(=O)NNC(=S)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea?
The InChIKey is RPVXTYRRAGLPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c1-9-13(23-20-17-9)14(21)18-19-15(22)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,21)(H2,16,19,22).
What are the key properties of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea?
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea has a molecular weight of 343.44 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea is sourced from PubChem (CID 3003057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).