2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide

C16H17N5OS — CID 122154728

IUPAC2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1
InChIInChI=1S/C16H17N5OS/c1-16(2,3)15(22)19-11-6-4-10(5-7-11)12-8-23-14(20-12)13-17-9-18-21-13/h4-9H,1-3H3,(H,19,22)(H,17,18,21)
InChIKeyIRVTYGVOSVMDIU-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.58
Rot. Bonds3

About 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide

2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 122154728) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID122154728
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1
InChIInChI=1S/C16H17N5OS/c1-16(2,3)15(22)19-11-6-4-10(5-7-11)12-8-23-14(20-12)13-17-9-18-21-13/h4-9H,1-3H3,(H,19,22)(H,17,18,21)
InChIKeyIRVTYGVOSVMDIU-UHFFFAOYSA-N
XLogP3.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 9356429
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 9174046
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 2835770
N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 23856573
4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 55152978
4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944957
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114
3-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 63152144

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide (CID 122154728) is 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ncn[nH]3)n2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is IRVTYGVOSVMDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-16(2,3)15(22)19-11-6-4-10(5-7-11)12-8-23-14(20-12)13-17-9-18-21-13/h4-9H,1-3H3,(H,19,22)(H,17,18,21).
What are the key properties of 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 122154728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).