N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

C19H22N4O2S2 — CID 655499

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)no1
InChIInChI=1S/C19H22N4O2S2/c1-10(2)17-21-18(26-9-15(24)20-14-8-11(3)25-23-14)16-12-6-4-5-7-13(12)27-19(16)22-17/h8,10H,4-7,9H2,1-3H3,(H,20,23,24)
InChIKeyYDNOFJHPILBPHP-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.72
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 655499) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID655499
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)no1
InChIInChI=1S/C19H22N4O2S2/c1-10(2)17-21-18(26-9-15(24)20-14-8-11(3)25-23-14)16-12-6-4-5-7-13(12)27-19(16)22-17/h8,10H,4-7,9H2,1-3H3,(H,20,23,24)
InChIKeyYDNOFJHPILBPHP-UHFFFAOYSA-N
XLogP4.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (CID 655499) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is YDNOFJHPILBPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-10(2)17-21-18(26-9-15(24)20-14-8-11(3)25-23-14)16-12-6-4-5-7-13(12)27-19(16)22-17/h8,10H,4-7,9H2,1-3H3,(H,20,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 402.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 655499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).