2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide

C14H15N3S2 — CID 107928698

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide
SMILESCc1ccc(Nc2nc(C3CC3)cs2)c(C(N)=S)c1
InChIInChI=1S/C14H15N3S2/c1-8-2-5-11(10(6-8)13(15)18)16-14-17-12(7-19-14)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyBTDGTUISONRSIM-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.71
Rot. Bonds4

About 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide

2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide (PubChem CID 107928698) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide
PubChem CID107928698
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide
SMILESCc1ccc(Nc2nc(C3CC3)cs2)c(C(N)=S)c1
InChIInChI=1S/C14H15N3S2/c1-8-2-5-11(10(6-8)13(15)18)16-14-17-12(7-19-14)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyBTDGTUISONRSIM-UHFFFAOYSA-N
XLogP3.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81053925
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767390
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide
CID 107928676
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286009
5-bromo-2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 114891504
5-methyl-2-(oxan-4-ylamino)benzenecarbothioamide
CID 107928578
5-methyl-2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 107928901
2-(3,4-dichloroanilino)-5-methylbenzenecarbothioamide
CID 107928397
2-[(4-ethylcyclohexyl)methylamino]-5-methylbenzenecarbothioamide
CID 107928838
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
CID 63669213
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 106036205
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 33301642

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide (CID 107928698) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide is Cc1ccc(Nc2nc(C3CC3)cs2)c(C(N)=S)c1.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide?
The InChIKey is BTDGTUISONRSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-8-2-5-11(10(6-8)13(15)18)16-14-17-12(7-19-14)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide has a molecular weight of 289.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide is sourced from PubChem (CID 107928698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).