(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine

C18H23N3S — CID 155266326

IUPAC(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(CNCc3nccs3)CC2)cc1
InChIInChI=1S/C18H23N3S/c1-2-4-14(5-3-1)15-10-16(15)21-13-18(6-7-18)12-19-11-17-20-8-9-22-17/h1-5,8-9,15-16,19,21H,6-7,10-13H2/t15?,16-/m0/s1
InChIKeyDKYQISHVNQFVDX-LYKKTTPLSA-N
MW313.47 g/mol
LogP3.16
Rot. Bonds8

About (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine

(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine (PubChem CID 155266326) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine
PubChem CID155266326
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(CNCc3nccs3)CC2)cc1
InChIInChI=1S/C18H23N3S/c1-2-4-14(5-3-1)15-10-16(15)21-13-18(6-7-18)12-19-11-17-20-8-9-22-17/h1-5,8-9,15-16,19,21H,6-7,10-13H2/t15?,16-/m0/s1
InChIKeyDKYQISHVNQFVDX-LYKKTTPLSA-N
XLogP3.16
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine (CID 155266326) is (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine is c1ccc(C2C[C@@H]2NCC2(CNCc3nccs3)CC2)cc1.
What is the InChIKey of (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine?
The InChIKey is DKYQISHVNQFVDX-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H23N3S/c1-2-4-14(5-3-1)15-10-16(15)21-13-18(6-7-18)12-19-11-17-20-8-9-22-17/h1-5,8-9,15-16,19,21H,6-7,10-13H2/t15?,16-/m0/s1.
What are the key properties of (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine?
(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 155266326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).