N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide

C18H18N4OS — CID 51094948

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cnc(-c3ccccc3)nc2)s1
InChIInChI=1S/C18H18N4OS/c1-11-16(24-13(3)21-11)12(2)22-18(23)15-9-19-17(20-10-15)14-7-5-4-6-8-14/h4-10,12H,1-3H3,(H,22,23)
InChIKeyYXORXPRVKVBMIR-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 51094948) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID51094948
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cnc(-c3ccccc3)nc2)s1
InChIInChI=1S/C18H18N4OS/c1-11-16(24-13(3)21-11)12(2)22-18(23)15-9-19-17(20-10-15)14-7-5-4-6-8-14/h4-10,12H,1-3H3,(H,22,23)
InChIKeyYXORXPRVKVBMIR-UHFFFAOYSA-N
XLogP3.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 61073901
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 94668559
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 110470867

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide (CID 51094948) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide is Cc1nc(C)c(C(C)NC(=O)c2cnc(-c3ccccc3)nc2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is YXORXPRVKVBMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-16(24-13(3)21-11)12(2)22-18(23)15-9-19-17(20-10-15)14-7-5-4-6-8-14/h4-10,12H,1-3H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 51094948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).