N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

C14H17N5O3S — CID 121032605

IUPACN-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCOCCCNC(=O)Cc1csc(NC(=O)c2ncccn2)n1
InChIInChI=1S/C14H17N5O3S/c1-22-7-3-6-15-11(20)8-10-9-23-14(18-10)19-13(21)12-16-4-2-5-17-12/h2,4-5,9H,3,6-8H2,1H3,(H,15,20)(H,18,19,21)
InChIKeyYMOOCIAHYAZENM-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.88
Rot. Bonds8

About N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (PubChem CID 121032605) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
PubChem CID121032605
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCOCCCNC(=O)Cc1csc(NC(=O)c2ncccn2)n1
InChIInChI=1S/C14H17N5O3S/c1-22-7-3-6-15-11(20)8-10-9-23-14(18-10)19-13(21)12-16-4-2-5-17-12/h2,4-5,9H,3,6-8H2,1H3,(H,15,20)(H,18,19,21)
InChIKeyYMOOCIAHYAZENM-UHFFFAOYSA-N
XLogP0.88
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032600
N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032612
N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032647
N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032570
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 146024002
N-[4-[2-(butylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18567989
N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41230385
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229532
N-[4-[2-[(2-methyl-1,3-benzothiazol-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032746

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (CID 121032605) is N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is COCCCNC(=O)Cc1csc(NC(=O)c2ncccn2)n1.
What is the InChIKey of N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The InChIKey is YMOOCIAHYAZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-22-7-3-6-15-11(20)8-10-9-23-14(18-10)19-13(21)12-16-4-2-5-17-12/h2,4-5,9H,3,6-8H2,1H3,(H,15,20)(H,18,19,21).
What are the key properties of N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 121032605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).