N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine

C13H12ClF2N5S2 — CID 142604464

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESCc1ncc(CN(Cc2cnc(Cl)s2)c2ccn(C(F)F)n2)s1
InChIInChI=1S/C13H12ClF2N5S2/c1-8-17-4-9(22-8)6-20(7-10-5-18-12(14)23-10)11-2-3-21(19-11)13(15)16/h2-5,13H,6-7H2,1H3
InChIKeyXCDLIDUYERPPMR-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.36
Rot. Bonds6

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine (PubChem CID 142604464) has the molecular formula C13H12ClF2N5S2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
PubChem CID142604464
Molecular FormulaC13H12ClF2N5S2
Molecular Weight375.86 g/mol
Exact Mass375.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESCc1ncc(CN(Cc2cnc(Cl)s2)c2ccn(C(F)F)n2)s1
InChIInChI=1S/C13H12ClF2N5S2/c1-8-17-4-9(22-8)6-20(7-10-5-18-12(14)23-10)11-2-3-21(19-11)13(15)16/h2-5,13H,6-7H2,1H3
InChIKeyXCDLIDUYERPPMR-UHFFFAOYSA-N
XLogP4.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine (CID 142604464) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine is Cc1ncc(CN(Cc2cnc(Cl)s2)c2ccn(C(F)F)n2)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The InChIKey is XCDLIDUYERPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N5S2/c1-8-17-4-9(22-8)6-20(7-10-5-18-12(14)23-10)11-2-3-21(19-11)13(15)16/h2-5,13H,6-7H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine has a molecular weight of 375.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 142604464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).