N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide

C20H24N4O5S3 — CID 167135800

IUPACN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc3n(CC3CCCO3)c2=O)s1
InChIInChI=1S/C20H24N4O5S3/c1-12-21-9-14(30-12)11-23-17(25)15-8-16(32(27,28)22-20(2)5-6-20)31-18(15)24(19(23)26)10-13-4-3-7-29-13/h8-9,13,22H,3-7,10-11H2,1-2H3
InChIKeyJAIBKAGAEKLLCQ-UHFFFAOYSA-N
MW496.64 g/mol
LogP2.05
Rot. Bonds7

About N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide

N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 167135800) has the molecular formula C20H24N4O5S3 and a molecular weight of 496.64 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide
PubChem CID167135800
Molecular FormulaC20H24N4O5S3
Molecular Weight496.64 g/mol
Exact Mass496.09
IUPAC NameN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc3n(CC3CCCO3)c2=O)s1
InChIInChI=1S/C20H24N4O5S3/c1-12-21-9-14(30-12)11-23-17(25)15-8-16(32(27,28)22-20(2)5-6-20)31-18(15)24(19(23)26)10-13-4-3-7-29-13/h8-9,13,22H,3-7,10-11H2,1-2H3
InChIKeyJAIBKAGAEKLLCQ-UHFFFAOYSA-N
XLogP2.05
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide (CID 167135800) is N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide is Cc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc3n(CC3CCCO3)c2=O)s1.
What is the InChIKey of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is JAIBKAGAEKLLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S3/c1-12-21-9-14(30-12)11-23-17(25)15-8-16(32(27,28)22-20(2)5-6-20)31-18(15)24(19(23)26)10-13-4-3-7-29-13/h8-9,13,22H,3-7,10-11H2,1-2H3.
What are the key properties of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide?
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 496.64 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 167135800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).