N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C14H16N4OS — CID 47231516

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NC3=NCCS3)cc2)CC1
InChIInChI=1S/C14H16N4OS/c1-10-6-8-18(17-10)12-4-2-11(3-5-12)13(19)16-14-15-7-9-20-14/h2-5H,6-9H2,1H3,(H,15,16,19)
InChIKeyPEOGMSTUFYADPN-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.11
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 47231516) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID47231516
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NC3=NCCS3)cc2)CC1
InChIInChI=1S/C14H16N4OS/c1-10-6-8-18(17-10)12-4-2-11(3-5-12)13(19)16-14-15-7-9-20-14/h2-5H,6-9H2,1H3,(H,15,16,19)
InChIKeyPEOGMSTUFYADPN-UHFFFAOYSA-N
XLogP2.11
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 51240513
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
CID 51089713
N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 46487660
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide
CID 78877817
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55904017
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 51956179
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
CID 47299837
methyl 2-[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 47055689

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 47231516) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NC3=NCCS3)cc2)CC1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is PEOGMSTUFYADPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-6-8-18(17-10)12-4-2-11(3-5-12)13(19)16-14-15-7-9-20-14/h2-5H,6-9H2,1H3,(H,15,16,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 288.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 47231516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).