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

C19H23N5O2S2 — CID 45167358

IUPACN,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1csc(CN(C)C(=O)c2sc3ncnc(NCC4CCCO4)c3c2C)n1
InChIInChI=1S/C19H23N5O2S2/c1-11-9-27-14(23-11)8-24(3)19(25)16-12(2)15-17(21-10-22-18(15)28-16)20-7-13-5-4-6-26-13/h9-10,13H,4-8H2,1-3H3,(H,20,21,22)
InChIKeyKBMNLBQWAJCHNW-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.63
Rot. Bonds6

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

N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45167358) has the molecular formula C19H23N5O2S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45167358
Molecular FormulaC19H23N5O2S2
Molecular Weight417.56 g/mol
Exact Mass417.13
IUPAC NameN,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1csc(CN(C)C(=O)c2sc3ncnc(NCC4CCCO4)c3c2C)n1
InChIInChI=1S/C19H23N5O2S2/c1-11-9-27-14(23-11)8-24(3)19(25)16-12(2)15-17(21-10-22-18(15)28-16)20-7-13-5-4-6-26-13/h9-10,13H,4-8H2,1-3H3,(H,20,21,22)
InChIKeyKBMNLBQWAJCHNW-UHFFFAOYSA-N
XLogP3.63
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45167358) is N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1csc(CN(C)C(=O)c2sc3ncnc(NCC4CCCO4)c3c2C)n1.
What is the InChIKey of N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KBMNLBQWAJCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S2/c1-11-9-27-14(23-11)8-24(3)19(25)16-12(2)15-17(21-10-22-18(15)28-16)20-7-13-5-4-6-26-13/h9-10,13H,4-8H2,1-3H3,(H,20,21,22).
What are the key properties of N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45167358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).