(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol

C7H11ClN2OS — CID 154843998

IUPAC(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1nc(Cl)cs1
InChIInChI=1S/C7H11ClN2OS/c1-5(11)2-9-3-7-10-6(8)4-12-7/h4-5,9,11H,2-3H2,1H3/t5-/m0/s1
InChIKeyKJJZNVCLSSSVDP-YFKPBYRVSA-N
MW206.70 g/mol
LogP1.27
Rot. Bonds4

About (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol

(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 154843998) has the molecular formula C7H11ClN2OS and a molecular weight of 206.70 g/mol. Its IUPAC name is (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID154843998
Molecular FormulaC7H11ClN2OS
Molecular Weight206.70 g/mol
Exact Mass206.03
IUPAC Name(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1nc(Cl)cs1
InChIInChI=1S/C7H11ClN2OS/c1-5(11)2-9-3-7-10-6(8)4-12-7/h4-5,9,11H,2-3H2,1H3/t5-/m0/s1
InChIKeyKJJZNVCLSSSVDP-YFKPBYRVSA-N
XLogP1.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 154843998) is (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol is C[C@H](O)CNCc1nc(Cl)cs1.
What is the InChIKey of (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is KJJZNVCLSSSVDP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11ClN2OS/c1-5(11)2-9-3-7-10-6(8)4-12-7/h4-5,9,11H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol?
(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol has a molecular weight of 206.70 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 154843998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).