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

C13H16N2OS2 — CID 111916796

IUPAC[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cnc(-c3cccs3)s2)CC1
InChIInChI=1S/C13H16N2OS2/c16-9-13(3-4-13)8-14-6-10-7-15-12(18-10)11-2-1-5-17-11/h1-2,5,7,14,16H,3-4,6,8-9H2
InChIKeyCTOCINNYZMBCAP-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.73
Rot. Bonds6

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

[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 111916796) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID111916796
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cnc(-c3cccs3)s2)CC1
InChIInChI=1S/C13H16N2OS2/c16-9-13(3-4-13)8-14-6-10-7-15-12(18-10)11-2-1-5-17-11/h1-2,5,7,14,16H,3-4,6,8-9H2
InChIKeyCTOCINNYZMBCAP-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 99791904
3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol
CID 111916731
2-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111977204
2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111916789
4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
CID 71975057
4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide
CID 71913528
2-(2-thiophen-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 115091257
3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 110879669
methyl (3R)-3-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxylate
CID 97160607
[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 102836979
1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol (CID 111916796) is [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2cnc(-c3cccs3)s2)CC1.
What is the InChIKey of [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is CTOCINNYZMBCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c16-9-13(3-4-13)8-14-6-10-7-15-12(18-10)11-2-1-5-17-11/h1-2,5,7,14,16H,3-4,6,8-9H2.
What are the key properties of [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 280.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 111916796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).