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

C15H19FN4S — CID 133371930

IUPACN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCC1NNC(C)C1CNc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H19FN4S/c1-9-13(10(2)20-19-9)7-17-15-18-14(8-21-15)11-3-5-12(16)6-4-11/h3-6,8-10,13,19-20H,7H2,1-2H3,(H,17,18)
InChIKeyBRKHCUBYAAVSBR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.86
Rot. Bonds4

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

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 133371930) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID133371930
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCC1NNC(C)C1CNc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H19FN4S/c1-9-13(10(2)20-19-9)7-17-15-18-14(8-21-15)11-3-5-12(16)6-4-11/h3-6,8-10,13,19-20H,7H2,1-2H3,(H,17,18)
InChIKeyBRKHCUBYAAVSBR-UHFFFAOYSA-N
XLogP2.86
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133449438
4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
CID 59822262
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[2-[4-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 24603213
2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
CID 59761353

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 133371930) is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine is CC1NNC(C)C1CNc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is BRKHCUBYAAVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-9-13(10(2)20-19-9)7-17-15-18-14(8-21-15)11-3-5-12(16)6-4-11/h3-6,8-10,13,19-20H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 306.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133371930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).