4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole

C9H11N3S — CID 146379808

IUPAC4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole
SMILESCC(C)c1csc(-n2cccn2)n1
InChIInChI=1S/C9H11N3S/c1-7(2)8-6-13-9(11-8)12-5-3-4-10-12/h3-7H,1-2H3
InChIKeyJCPKBTFEPLXDHZ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.45
Rot. Bonds2

About 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole

4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole (PubChem CID 146379808) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole
PubChem CID146379808
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole
SMILESCC(C)c1csc(-n2cccn2)n1
InChIInChI=1S/C9H11N3S/c1-7(2)8-6-13-9(11-8)12-5-3-4-10-12/h3-7H,1-2H3
InChIKeyJCPKBTFEPLXDHZ-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole, 2-(4-aminopyrazol-1-yl)-4-methyl-
CID 206686
Thiazole, 2-(4-(dimethylamino)pyrazol-1-yl)-4-methyl-, dihydrochloride
CID 206700
2-(1H-pyrazol-1-yl)thiazole
CID 14387157
5-Methyl-2-pyrazol-1-yl-1,3-thiazole
CID 101854448
1-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(tert-butyl)urea
CID 71802231
2-Pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 122641793
4-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 141497303
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 168853536
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853568
4-Ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole
CID 170039715
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740
Tert-butyl-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethylideneamino]-oxidosulfanium
CID 174090480

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole (CID 146379808) is 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole is CC(C)c1csc(-n2cccn2)n1.
What is the InChIKey of 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole?
The InChIKey is JCPKBTFEPLXDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7(2)8-6-13-9(11-8)12-5-3-4-10-12/h3-7H,1-2H3.
What are the key properties of 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole?
4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole has a molecular weight of 193.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 146379808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).