2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide

C17H18N6OS2 — CID 74240978

IUPAC2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide
SMILESCc1nnc(SCCCNC(=O)c2cnc(Nc3ccccc3)nc2)s1
InChIInChI=1S/C17H18N6OS2/c1-12-22-23-17(26-12)25-9-5-8-18-15(24)13-10-19-16(20-11-13)21-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyXGZYJOLWYRYBPP-UHFFFAOYSA-N
MW386.51 g/mol
LogP3.29
Rot. Bonds8

About 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide

2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide (PubChem CID 74240978) has the molecular formula C17H18N6OS2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide
PubChem CID74240978
Molecular FormulaC17H18N6OS2
Molecular Weight386.51 g/mol
Exact Mass386.10
IUPAC Name2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide
SMILESCc1nnc(SCCCNC(=O)c2cnc(Nc3ccccc3)nc2)s1
InChIInChI=1S/C17H18N6OS2/c1-12-22-23-17(26-12)25-9-5-8-18-15(24)13-10-19-16(20-11-13)21-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyXGZYJOLWYRYBPP-UHFFFAOYSA-N
XLogP3.29
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]thiadiazole-4-carboxamide
CID 46998399
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 46995282
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxochromene-3-carboxamide
CID 46993886
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 77097356
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
3-(benzimidazol-1-yl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propanamide
CID 46990346
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97268778
4-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1H-pyrrole-2-carboxamide
CID 77084955

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide (CID 74240978) is 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide is Cc1nnc(SCCCNC(=O)c2cnc(Nc3ccccc3)nc2)s1.
What is the InChIKey of 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide?
The InChIKey is XGZYJOLWYRYBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS2/c1-12-22-23-17(26-12)25-9-5-8-18-15(24)13-10-19-16(20-11-13)21-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,24)(H,19,20,21).
What are the key properties of 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide?
2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide has a molecular weight of 386.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74240978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).