[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol

C19H19N5OS2 — CID 133384706

IUPAC[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Sc1nc(C)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H19N5OS2/c1-3-9-24-16(11-25)22-23-19(24)27-18-14-10-15(13-7-5-4-6-8-13)26-17(14)20-12(2)21-18/h4-8,10,25H,3,9,11H2,1-2H3
InChIKeyBAJUUZZJLLRMTO-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.31
Rot. Bonds6

About [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 133384706) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID133384706
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC Name[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Sc1nc(C)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H19N5OS2/c1-3-9-24-16(11-25)22-23-19(24)27-18-14-10-15(13-7-5-4-6-8-13)26-17(14)20-12(2)21-18/h4-8,10,25H,3,9,11H2,1-2H3
InChIKeyBAJUUZZJLLRMTO-UHFFFAOYSA-N
XLogP4.31
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888309
N-(methylcarbamoyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7888342
[5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
CID 133384677
4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 24562093
1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7888344
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541500
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 41166419
(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7888355
(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbut-2-enenitrile
CID 135474041
2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772562
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7888379
2-(3-hydroxypropylsulfanyl)-3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 110877011

Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol (CID 133384706) is [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1Sc1nc(C)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is BAJUUZZJLLRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c1-3-9-24-16(11-25)22-23-19(24)27-18-14-10-15(13-7-5-4-6-8-13)26-17(14)20-12(2)21-18/h4-8,10,25H,3,9,11H2,1-2H3.
What are the key properties of [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 397.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 133384706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).