N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide

C18H18N4O2S — CID 59252401

IUPACN-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(-c2cnc(-c3ccccc3)nc2)n1
InChIInChI=1S/C18H18N4O2S/c1-24-9-5-8-19-17(23)15-12-25-18(22-15)14-10-20-16(21-11-14)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,23)
InChIKeyYPJLVBKYGVOCCZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.03
Rot. Bonds7

About N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide

N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59252401) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID59252401
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1csc(-c2cnc(-c3ccccc3)nc2)n1
InChIInChI=1S/C18H18N4O2S/c1-24-9-5-8-19-17(23)15-12-25-18(22-15)14-10-20-16(21-11-14)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,23)
InChIKeyYPJLVBKYGVOCCZ-UHFFFAOYSA-N
XLogP3.03
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
Thiazovivin
CID 46209426
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
(18F)Fitm
CID 53233900
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
Pyrimidine-4-carboxamide, 37
CID 11404621
N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
N-(4-(4-(2-(Ethylamino)-4-methylthiazol-5-yl)pyrimidin-2-ylamino)benzyl)acetamide
CID 11646645
N-(4-(6-(ethylamino)pyrimidin-4-yl)thiazol-2-yl)-4-fluoro-N-methylbenzamide
CID 16660140
(2S)-3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497939
5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 145489195

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide (CID 59252401) is N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide is COCCCNC(=O)c1csc(-c2cnc(-c3ccccc3)nc2)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YPJLVBKYGVOCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-9-5-8-19-17(23)15-12-25-18(22-15)14-10-20-16(21-11-14)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,23).
What are the key properties of N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59252401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).