2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine

C20H21N3OS — CID 66714821

IUPAC2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
SMILESNc1cnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C20H21N3OS/c21-19-11-23-20(25-19)12-22-18-10-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-9,11,17-18,22H,10,12-13,21H2/t17-,18+/m0/s1
InChIKeyNNPHJHZIWIHIQP-ZWKOTPCHSA-N
MW351.48 g/mol
LogP3.95
Rot. Bonds7

About 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine

2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine (PubChem CID 66714821) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
PubChem CID66714821
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
SMILESNc1cnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C20H21N3OS/c21-19-11-23-20(25-19)12-22-18-10-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-9,11,17-18,22H,10,12-13,21H2/t17-,18+/m0/s1
InChIKeyNNPHJHZIWIHIQP-ZWKOTPCHSA-N
XLogP3.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895193
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
5-[[[(1S,2R)-2-[4-[[3-(fluoromethyl)phenyl]methoxy]phenyl]cyclopropyl]amino]methyl]-1,3-thiazol-2-amine
CID 118603758
N-methyl-5-[[[2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 66714790
N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640198
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine (CID 66714821) is 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine is Nc1cnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)s1.
What is the InChIKey of 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine?
The InChIKey is NNPHJHZIWIHIQP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H21N3OS/c21-19-11-23-20(25-19)12-22-18-10-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-9,11,17-18,22H,10,12-13,21H2/t17-,18+/m0/s1.
What are the key properties of 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine?
2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine has a molecular weight of 351.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 66714821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).