N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C14H14N4O2S2 — CID 138041274

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ncc(CN(C)C(=O)Cn2cnc3sccc3c2=O)s1
InChIInChI=1S/C14H14N4O2S2/c1-9-15-5-10(22-9)6-17(2)12(19)7-18-8-16-13-11(14(18)20)3-4-21-13/h3-5,8H,6-7H2,1-2H3
InChIKeyPOFPMANTTNTBHA-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.88
Rot. Bonds4

About N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 138041274) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID138041274
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ncc(CN(C)C(=O)Cn2cnc3sccc3c2=O)s1
InChIInChI=1S/C14H14N4O2S2/c1-9-15-5-10(22-9)6-17(2)12(19)7-18-8-16-13-11(14(18)20)3-4-21-13/h3-5,8H,6-7H2,1-2H3
InChIKeyPOFPMANTTNTBHA-UHFFFAOYSA-N
XLogP1.88
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 60988516
methyl 3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate
CID 61244486
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 32877486
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18195420
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594353
N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 46819114
N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30812236
2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-propylamino]acetic acid
CID 61012494
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24593237

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 138041274) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1ncc(CN(C)C(=O)Cn2cnc3sccc3c2=O)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is POFPMANTTNTBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-9-15-5-10(22-9)6-17(2)12(19)7-18-8-16-13-11(14(18)20)3-4-21-13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 334.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 138041274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).