N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide

C14H15N3OS2 — CID 65200020

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCC(N)=S)c2ccccc2)cs1
InChIInChI=1S/C14H15N3OS2/c1-10-16-12(9-20-10)14(18)17(8-7-13(15)19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,15,19)
InChIKeyVMXVMDMTLMAQFW-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.77
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 65200020) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID65200020
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCC(N)=S)c2ccccc2)cs1
InChIInChI=1S/C14H15N3OS2/c1-10-16-12(9-20-10)14(18)17(8-7-13(15)19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,15,19)
InChIKeyVMXVMDMTLMAQFW-UHFFFAOYSA-N
XLogP2.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 2532933
2-ethynyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 168291606
(2-Ethynyl-1,3-thiazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 168295475
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
N-(2-piperazin-1-ylphenyl)-2-prop-1-ynyl-1,3-thiazole-4-carboxamide
CID 70696492
N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 60207628
N-[6-(2-aminoanilino)-6-oxohexyl]-1,3-thiazole-4-carboxamide
CID 60207636
2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 4882326
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 9267147
N-[4-(dimethylamino)phenyl]-2-(2-methyl(1,3-thiazol-4-yl))acetamide
CID 16014493
1-(4-Fluorophenyl)-4-{1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}piperazine
CID 46943989
2-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 47443232

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide (CID 65200020) is N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCC(N)=S)c2ccccc2)cs1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is VMXVMDMTLMAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-10-16-12(9-20-10)14(18)17(8-7-13(15)19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65200020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).