N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide

C16H20N4OS2 — CID 32866868

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2nc(C3CC3)cs2)c(C)n1
InChIInChI=1S/C16H20N4OS2/c1-9-12(10(2)18-15(17-9)22-3)6-7-14(21)20-16-19-13(8-23-16)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyHQPHGJDVMQGPSF-UHFFFAOYSA-N
MW348.50 g/mol
LogP3.72
Rot. Bonds6

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (PubChem CID 32866868) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
PubChem CID32866868
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2nc(C3CC3)cs2)c(C)n1
InChIInChI=1S/C16H20N4OS2/c1-9-12(10(2)18-15(17-9)22-3)6-7-14(21)20-16-19-13(8-23-16)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyHQPHGJDVMQGPSF-UHFFFAOYSA-N
XLogP3.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 46411974
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
CID 32868420
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 46668783
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528
3-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32868458
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18198236
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide
CID 127622650
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
2-cyclopentyloxy-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47243063
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (CID 32866868) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is CSc1nc(C)c(CCC(=O)Nc2nc(C3CC3)cs2)c(C)n1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The InChIKey is HQPHGJDVMQGPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-9-12(10(2)18-15(17-9)22-3)6-7-14(21)20-16-19-13(8-23-16)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide has a molecular weight of 348.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 32866868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).