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

C11H10ClN5OS2 — CID 9085295

IUPAC1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea
SMILESCc1nnsc1C(=O)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN5OS2/c1-6-9(20-17-14-6)10(18)15-16-11(19)13-8-4-2-7(12)3-5-8/h2-5H,1H3,(H,15,18)(H2,13,16,19)
InChIKeyWBLFKLCTYDLITH-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.13
Rot. Bonds2

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

1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea (PubChem CID 9085295) has the molecular formula C11H10ClN5OS2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea
PubChem CID9085295
Molecular FormulaC11H10ClN5OS2
Molecular Weight327.82 g/mol
Exact Mass327.00
IUPAC Name1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea
SMILESCc1nnsc1C(=O)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN5OS2/c1-6-9(20-17-14-6)10(18)15-16-11(19)13-8-4-2-7(12)3-5-8/h2-5H,1H3,(H,15,18)(H2,13,16,19)
InChIKeyWBLFKLCTYDLITH-UHFFFAOYSA-N
XLogP2.13
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.13
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-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea
CID 3003057
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea
CID 832889
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
1-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 848929
1-(1,2-benzothiazole-3-carbonylamino)-3-(4-chlorophenyl)thiourea
CID 10451325
1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8669499
1-[(4-aminobenzoyl)amino]-3-(4-chlorophenyl)thiourea
CID 125468827
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
1-(4-chlorophenyl)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiourea
CID 9317348
1-[(3-aminopyrazine-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 70677465

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea (CID 9085295) is 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea is Cc1nnsc1C(=O)NNC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea?
The InChIKey is WBLFKLCTYDLITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5OS2/c1-6-9(20-17-14-6)10(18)15-16-11(19)13-8-4-2-7(12)3-5-8/h2-5H,1H3,(H,15,18)(H2,13,16,19).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea?
1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea has a molecular weight of 327.82 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea is sourced from PubChem (CID 9085295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).