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

C18H19FN4S — CID 26400415

IUPACN-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CC2)sc1-c1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN4S/c1-12-17(24-18(21-12)20-10-13-2-3-13)16-8-9-23(22-16)11-14-4-6-15(19)7-5-14/h4-9,13H,2-3,10-11H2,1H3,(H,20,21)
InChIKeyJYNKTVDAUWXZQB-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.32
Rot. Bonds6

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

N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 26400415) has the molecular formula C18H19FN4S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID26400415
Molecular FormulaC18H19FN4S
Molecular Weight342.44 g/mol
Exact Mass342.13
IUPAC NameN-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CC2)sc1-c1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN4S/c1-12-17(24-18(21-12)20-10-13-2-3-13)16-8-9-23(22-16)11-14-4-6-15(19)7-5-14/h4-9,13H,2-3,10-11H2,1H3,(H,20,21)
InChIKeyJYNKTVDAUWXZQB-UHFFFAOYSA-N
XLogP4.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 26400415) is N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(NCC2CC2)sc1-c1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JYNKTVDAUWXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4S/c1-12-17(24-18(21-12)20-10-13-2-3-13)16-8-9-23(22-16)11-14-4-6-15(19)7-5-14/h4-9,13H,2-3,10-11H2,1H3,(H,20,21).
What are the key properties of N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 342.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 26400415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).