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

C17H15N5O3S — CID 121032647

IUPACN-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)c1
InChIInChI=1S/C17H15N5O3S/c1-25-13-5-2-4-11(8-13)20-14(23)9-12-10-26-17(21-12)22-16(24)15-18-6-3-7-19-15/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHYWBTNRXLAMFAO-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.38
Rot. Bonds6

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

N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (PubChem CID 121032647) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
PubChem CID121032647
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)c1
InChIInChI=1S/C17H15N5O3S/c1-25-13-5-2-4-11(8-13)20-14(23)9-12-10-26-17(21-12)22-16(24)15-18-6-3-7-19-15/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyHYWBTNRXLAMFAO-UHFFFAOYSA-N
XLogP2.38
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032612
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032745
N-[4-[2-[(2-methyl-1,3-benzothiazol-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032746
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 16898885
N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032605
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032600
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16898920
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (CID 121032647) is N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is COc1cccc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The InChIKey is HYWBTNRXLAMFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-25-13-5-2-4-11(8-13)20-14(23)9-12-10-26-17(21-12)22-16(24)15-18-6-3-7-19-15/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 121032647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).