[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol

C9H14N2OS — CID 115455218

IUPAC[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol
SMILESCc1csc(NCC2(CO)CC2)n1
InChIInChI=1S/C9H14N2OS/c1-7-4-13-8(11-7)10-5-9(6-12)2-3-9/h4,12H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyFEJQDJUUTLEWQW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.64
Rot. Bonds4

About [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol

[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 115455218) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol
PubChem CID115455218
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol
SMILESCc1csc(NCC2(CO)CC2)n1
InChIInChI=1S/C9H14N2OS/c1-7-4-13-8(11-7)10-5-9(6-12)2-3-9/h4,12H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyFEJQDJUUTLEWQW-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol (CID 115455218) is [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol is Cc1csc(NCC2(CO)CC2)n1.
What is the InChIKey of [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is FEJQDJUUTLEWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-4-13-8(11-7)10-5-9(6-12)2-3-9/h4,12H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 198.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115455218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).