1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine

C18H16N2S — CID 134081875

IUPAC1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1
InChIInChI=1S/C18H16N2S/c19-18(10-11-18)17-20-16(12-21-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11,19H2
InChIKeyHABKVOVQDXMNNP-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.42
Rot. Bonds3

About 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine

1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine (PubChem CID 134081875) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
PubChem CID134081875
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1
InChIInChI=1S/C18H16N2S/c19-18(10-11-18)17-20-16(12-21-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11,19H2
InChIKeyHABKVOVQDXMNNP-UHFFFAOYSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967625
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338469
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 62943829
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558286
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336316
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61337663
1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967651

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine (CID 134081875) is 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine is NC1(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1.
What is the InChIKey of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The InChIKey is HABKVOVQDXMNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c19-18(10-11-18)17-20-16(12-21-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11,19H2.
What are the key properties of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine has a molecular weight of 292.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 134081875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).