N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

C18H17N5OS — CID 78904432

IUPACN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1
InChIInChI=1S/C18H17N5OS/c1-23-12-15(10-21-23)6-7-17(24)22-18-20-11-16(25-18)8-13-2-4-14(9-19)5-3-13/h2-5,10-12H,6-8H2,1H3,(H,20,22,24)
InChIKeyGINJAKAJFJFKJH-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.91
Rot. Bonds6

About N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 78904432) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID78904432
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1
InChIInChI=1S/C18H17N5OS/c1-23-12-15(10-21-23)6-7-17(24)22-18-20-11-16(25-18)8-13-2-4-14(9-19)5-3-13/h2-5,10-12H,6-8H2,1H3,(H,20,22,24)
InChIKeyGINJAKAJFJFKJH-UHFFFAOYSA-N
XLogP2.91
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869334
N-[4-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 78869341
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153155
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitrophenoxy)propanamide
CID 78883724
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120998386
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24555597
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78843727
4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 78883719
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 78904432) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1.
What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is GINJAKAJFJFKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-23-12-15(10-21-23)6-7-17(24)22-18-20-11-16(25-18)8-13-2-4-14(9-19)5-3-13/h2-5,10-12H,6-8H2,1H3,(H,20,22,24).
What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 351.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 78904432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).