5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine

C11H10ClF3N4S — CID 124728866

IUPAC5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine
SMILESCC[C@@H](Nc1ncc(Cl)cn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H10ClF3N4S/c1-2-7(18-10-16-3-6(12)4-17-10)9-19-8(5-20-9)11(13,14)15/h3-5,7H,2H2,1H3,(H,16,17,18)/t7-/m1/s1
InChIKeyFLZPPXJLWIHPKH-SSDOTTSWSA-N
MW322.74 g/mol
LogP4.17
Rot. Bonds4

About 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine

5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine (PubChem CID 124728866) has the molecular formula C11H10ClF3N4S and a molecular weight of 322.74 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine
PubChem CID124728866
Molecular FormulaC11H10ClF3N4S
Molecular Weight322.74 g/mol
Exact Mass322.03
IUPAC Name5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine
SMILESCC[C@@H](Nc1ncc(Cl)cn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H10ClF3N4S/c1-2-7(18-10-16-3-6(12)4-17-10)9-19-8(5-20-9)11(13,14)15/h3-5,7H,2H2,1H3,(H,16,17,18)/t7-/m1/s1
InChIKeyFLZPPXJLWIHPKH-SSDOTTSWSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine
CID 133483685
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]ethanesulfonamide
CID 71985542
5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95971241
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904349
4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
CID 120563791
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 167249314
5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
CID 97320772
5-chloro-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
CID 97320773

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine (CID 124728866) is 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine is CC[C@@H](Nc1ncc(Cl)cn1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine?
The InChIKey is FLZPPXJLWIHPKH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClF3N4S/c1-2-7(18-10-16-3-6(12)4-17-10)9-19-8(5-20-9)11(13,14)15/h3-5,7H,2H2,1H3,(H,16,17,18)/t7-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine?
5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine has a molecular weight of 322.74 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine is sourced from PubChem (CID 124728866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).