6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide

C16H18N4OS2 — CID 175539439

IUPAC6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCSCC1)c1cc(C2CC2)nc(-c2cncs2)n1
InChIInChI=1S/C16H18N4OS2/c21-16(18-11-3-5-22-6-4-11)13-7-12(10-1-2-10)19-15(20-13)14-8-17-9-23-14/h7-11H,1-6H2,(H,18,21)
InChIKeyPNQKMZFVFLUHCU-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.10
Rot. Bonds4

About 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide

6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 175539439) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
PubChem CID175539439
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCSCC1)c1cc(C2CC2)nc(-c2cncs2)n1
InChIInChI=1S/C16H18N4OS2/c21-16(18-11-3-5-22-6-4-11)13-7-12(10-1-2-10)19-15(20-13)14-8-17-9-23-14/h7-11H,1-6H2,(H,18,21)
InChIKeyPNQKMZFVFLUHCU-UHFFFAOYSA-N
XLogP3.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-methyl-6-(1,3-thiazol-5-yl)pyridine-2-carboxamide;methanol
CID 166481113
N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide
CID 170774180
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 171474987
4-chloro-N-cyclohexyl-6-(1,3-thiazol-5-yl)pyridine-2-carboxamide;2-methoxyethanol
CID 156885898
N-(4-methoxycyclohexyl)-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 166481300
N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
CID 166481588
2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
CID 166481650
2-amino-6-cyclopropyl-N-methylpyrimidine-4-carboxamide
CID 54853977
N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 126997753
methyl 6-methylsulfanyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylate
CID 168754156
N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol
CID 155598600

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide (CID 175539439) is 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide is O=C(NC1CCSCC1)c1cc(C2CC2)nc(-c2cncs2)n1.
What is the InChIKey of 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is PNQKMZFVFLUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c21-16(18-11-3-5-22-6-4-11)13-7-12(10-1-2-10)19-15(20-13)14-8-17-9-23-14/h7-11H,1-6H2,(H,18,21).
What are the key properties of 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(thian-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 175539439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).