N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine

C11H13F3N4S — CID 79775029

IUPACN-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C11H13F3N4S/c1-2-3-15-10-16-5-9(19-10)7-18-6-8(4-17-18)11(12,13)14/h4-6H,2-3,7H2,1H3,(H,15,16)
InChIKeyOSGIKRAPSMQGOR-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.23
Rot. Bonds5

About N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine

N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 79775029) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID79775029
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC NameN-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C11H13F3N4S/c1-2-3-15-10-16-5-9(19-10)7-18-6-8(4-17-18)11(12,13)14/h4-6H,2-3,7H2,1H3,(H,15,16)
InChIKeyOSGIKRAPSMQGOR-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 79775029) is N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is CCCNc1ncc(Cn2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is OSGIKRAPSMQGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-2-3-15-10-16-5-9(19-10)7-18-6-8(4-17-18)11(12,13)14/h4-6H,2-3,7H2,1H3,(H,15,16).
What are the key properties of N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 290.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).