N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide

C14H17N7O2S — CID 91961544

IUPACN,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncnc3c2NC(=O)C(C)N3)sc1C(=O)N(C)C
InChIInChI=1S/C14H17N7O2S/c1-6-9(13(23)21(3)4)24-14(18-6)20-11-8-10(15-5-16-11)17-7(2)12(22)19-8/h5,7H,1-4H3,(H,19,22)(H2,15,16,17,18,20)
InChIKeyDTWAOBJSMIEINT-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.44
Rot. Bonds3

About N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 91961544) has the molecular formula C14H17N7O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide
PubChem CID91961544
Molecular FormulaC14H17N7O2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC NameN,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncnc3c2NC(=O)C(C)N3)sc1C(=O)N(C)C
InChIInChI=1S/C14H17N7O2S/c1-6-9(13(23)21(3)4)24-14(18-6)20-11-8-10(15-5-16-11)17-7(2)12(22)19-8/h5,7H,1-4H3,(H,19,22)(H2,15,16,17,18,20)
InChIKeyDTWAOBJSMIEINT-UHFFFAOYSA-N
XLogP1.44
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide (CID 91961544) is N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncnc3c2NC(=O)C(C)N3)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is DTWAOBJSMIEINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2S/c1-6-9(13(23)21(3)4)24-14(18-6)20-11-8-10(15-5-16-11)17-7(2)12(22)19-8/h5,7H,1-4H3,(H,19,22)(H2,15,16,17,18,20).
What are the key properties of N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(7-methyl-6-oxo-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91961544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).