1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea

C11H11N5OS2 — CID 57396205

IUPAC1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
SMILESCc1nnsc1C(=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C11H11N5OS2/c1-7-9(19-16-13-7)10(17)14-15-11(18)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,17)(H2,12,15,18)
InChIKeyQNTQHIGZROYIQD-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.48
Rot. Bonds2

About 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea

1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea (PubChem CID 57396205) has the molecular formula C11H11N5OS2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
PubChem CID57396205
Molecular FormulaC11H11N5OS2
Molecular Weight293.38 g/mol
Exact Mass293.04
IUPAC Name1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
SMILESCc1nnsc1C(=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C11H11N5OS2/c1-7-9(19-16-13-7)10(17)14-15-11(18)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,17)(H2,12,15,18)
InChIKeyQNTQHIGZROYIQD-UHFFFAOYSA-N
XLogP1.48
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.48
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-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea
CID 9085295
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea
CID 3003057
1-[4-methyl-5-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]-3-phenylthiourea
CID 24938319
1-[[2-(4-bromophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylthiourea
CID 71518917
4-methyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]thiadiazole-5-carboxamide
CID 5306646
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylthiourea
CID 842923
4-methyl-N-[(4-pentylphenyl)carbamothioyl]thiadiazole-5-carboxamide
CID 21041739
N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]acetamide
CID 910312
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
1-[(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]-3-phenylthiourea
CID 16751114
1-[(2-chlorobenzoyl)amino]-3-phenylthiourea
CID 720612

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea (CID 57396205) is 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea is Cc1nnsc1C(=O)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea?
The InChIKey is QNTQHIGZROYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS2/c1-7-9(19-16-13-7)10(17)14-15-11(18)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,17)(H2,12,15,18).
What are the key properties of 1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea?
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea has a molecular weight of 293.38 g/mol, XLogP of 1.48, 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-phenylthiourea is sourced from PubChem (CID 57396205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).