[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol

C8H11ClN2OS — CID 104879507

IUPAC[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ncc(Cl)s2)CC1
InChIInChI=1S/C8H11ClN2OS/c9-6-3-10-7(13-6)4-11-8(5-12)1-2-8/h3,11-12H,1-2,4-5H2
InChIKeyNHINSRUOKASPGP-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.41
Rot. Bonds4

About [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol

[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol (PubChem CID 104879507) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol
PubChem CID104879507
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ncc(Cl)s2)CC1
InChIInChI=1S/C8H11ClN2OS/c9-6-3-10-7(13-6)4-11-8(5-12)1-2-8/h3,11-12H,1-2,4-5H2
InChIKeyNHINSRUOKASPGP-UHFFFAOYSA-N
XLogP1.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclopropyl]methanol
CID 115763147
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546
[1-[(5-chlorothiophen-2-yl)methylamino]cyclopropyl]methanol
CID 115763041
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]cyclopropyl]methanol
CID 115763054
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 104879340
[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]cyclopropyl]methanol
CID 115763226
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 107124089

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol (CID 104879507) is [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol is OCC1(NCc2ncc(Cl)s2)CC1.
What is the InChIKey of [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol?
The InChIKey is NHINSRUOKASPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c9-6-3-10-7(13-6)4-11-8(5-12)1-2-8/h3,11-12H,1-2,4-5H2.
What are the key properties of [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol?
[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol has a molecular weight of 218.71 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 104879507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).