N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

C13H13FN2S — CID 133371002

IUPACN-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCC3CC3)n2)cc1
InChIInChI=1S/C13H13FN2S/c14-11-5-3-10(4-6-11)12-8-17-13(16-12)15-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,15,16)
InChIKeyJHHMNNZRUBSYLK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.77
Rot. Bonds4

About N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 133371002) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID133371002
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC NameN-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCC3CC3)n2)cc1
InChIInChI=1S/C13H13FN2S/c14-11-5-3-10(4-6-11)12-8-17-13(16-12)15-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,15,16)
InChIKeyJHHMNNZRUBSYLK-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
CID 59822262
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371930
5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 59828899
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 154843667
N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 141165466
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
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
4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 133372461
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 133370524

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 133371002) is N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NCC3CC3)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is JHHMNNZRUBSYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c14-11-5-3-10(4-6-11)12-8-17-13(16-12)15-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133371002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).