N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C18H21N5O2S2 — CID 45167182

IUPACN,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2nccs2)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C18H21N5O2S2/c1-11-14-16(20-8-12-4-3-6-25-12)21-10-22-17(14)27-15(11)18(24)23(2)9-13-19-5-7-26-13/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,20,21,22)
InChIKeyFIOGQZMPATZJOF-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.32
Rot. Bonds6

About N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45167182) has the molecular formula C18H21N5O2S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45167182
Molecular FormulaC18H21N5O2S2
Molecular Weight403.53 g/mol
Exact Mass403.11
IUPAC NameN,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2nccs2)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C18H21N5O2S2/c1-11-14-16(20-8-12-4-3-6-25-12)21-10-22-17(14)27-15(11)18(24)23(2)9-13-19-5-7-26-13/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,20,21,22)
InChIKeyFIOGQZMPATZJOF-UHFFFAOYSA-N
XLogP3.32
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide 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,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45167182) is N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)Cc2nccs2)sc2ncnc(NCC3CCCO3)c12.
What is the InChIKey of N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FIOGQZMPATZJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S2/c1-11-14-16(20-8-12-4-3-6-25-12)21-10-22-17(14)27-15(11)18(24)23(2)9-13-19-5-7-26-13/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,20,21,22).
What are the key properties of N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-(oxolan-2-ylmethylamino)-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45167182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).