N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide

C14H15N5O2S2 — CID 137252357

IUPACN,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C14H15N5O2S2/c1-7-10(13(15-2)23-18-7)14(21)19(3)6-9-16-8-4-5-22-11(8)12(20)17-9/h4-5,15H,6H2,1-3H3,(H,16,17,20)
InChIKeyXRVPDHYRFUREFN-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.06
Rot. Bonds4

About N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide

N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide (PubChem CID 137252357) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide
PubChem CID137252357
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC NameN,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C14H15N5O2S2/c1-7-10(13(15-2)23-18-7)14(21)19(3)6-9-16-8-4-5-22-11(8)12(20)17-9/h4-5,15H,6H2,1-3H3,(H,16,17,20)
InChIKeyXRVPDHYRFUREFN-UHFFFAOYSA-N
XLogP2.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 137294343
2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 135887672
methyl 5-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]thiophene-2-carboxylate
CID 137278323
2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 135968768
N-methyl-4-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide
CID 135968758
2-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 136967428
2-chloro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-3-carboxamide
CID 136729376
2-(aminomethyl)-2-ethyl-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide;hydrochloride
CID 137032711
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 135955535
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 137294363
(3S,4S)-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 136689820
5-(4-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide
CID 135887598

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide (CID 137252357) is N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is XRVPDHYRFUREFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-7-10(13(15-2)23-18-7)14(21)19(3)6-9-16-8-4-5-22-11(8)12(20)17-9/h4-5,15H,6H2,1-3H3,(H,16,17,20).
What are the key properties of N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide?
N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 137252357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).