4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide

C19H21N5OS — CID 122558446

IUPAC4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCCc1nc(C)c(CNC(=O)c2ccc(-c3nccc(N)n3)cc2)s1
InChIInChI=1S/C19H21N5OS/c1-3-4-17-23-12(2)15(26-17)11-22-19(25)14-7-5-13(6-8-14)18-21-10-9-16(20)24-18/h5-10H,3-4,11H2,1-2H3,(H,22,25)(H2,20,21,24)
InChIKeySWPVBEWPULRHSG-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.37
Rot. Bonds6

About 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide

4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 122558446) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID122558446
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCCc1nc(C)c(CNC(=O)c2ccc(-c3nccc(N)n3)cc2)s1
InChIInChI=1S/C19H21N5OS/c1-3-4-17-23-12(2)15(26-17)11-22-19(25)14-7-5-13(6-8-14)18-21-10-9-16(20)24-18/h5-10H,3-4,11H2,1-2H3,(H,22,25)(H2,20,21,24)
InChIKeySWPVBEWPULRHSG-UHFFFAOYSA-N
XLogP3.37
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122568398
2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70746816
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 121122821
2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91783367
4-amino-N-ethylpyrimidine-2-carboxamide
CID 117213053
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 90546538
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea
CID 131936227
2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide
CID 135098575
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]oxolane-2-carboxamide
CID 91795525
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70786143
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 122558312

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide (CID 122558446) is 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide is CCCc1nc(C)c(CNC(=O)c2ccc(-c3nccc(N)n3)cc2)s1.
What is the InChIKey of 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is SWPVBEWPULRHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-3-4-17-23-12(2)15(26-17)11-22-19(25)14-7-5-13(6-8-14)18-21-10-9-16(20)24-18/h5-10H,3-4,11H2,1-2H3,(H,22,25)(H2,20,21,24).
What are the key properties of 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide?
4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 367.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 122558446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).