[1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol

C13H22N2OS — CID 126798808

IUPAC[1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol
SMILESCC(C)C(NCc1cscn1)C1(CO)CCC1
InChIInChI=1S/C13H22N2OS/c1-10(2)12(13(8-16)4-3-5-13)14-6-11-7-17-9-15-11/h7,9-10,12,14,16H,3-6,8H2,1-2H3
InChIKeyMUDXBGPBSFEJQD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.42
Rot. Bonds6

About [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol

[1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol (PubChem CID 126798808) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol
PubChem CID126798808
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol
SMILESCC(C)C(NCc1cscn1)C1(CO)CCC1
InChIInChI=1S/C13H22N2OS/c1-10(2)12(13(8-16)4-3-5-13)14-6-11-7-17-9-15-11/h7,9-10,12,14,16H,3-6,8H2,1-2H3
InChIKeyMUDXBGPBSFEJQD-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-thiazol-4-ylmethylamino)cyclohexyl]methanol
CID 62521702
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 103753051
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696131
1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 81167359
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
3-methyl-2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65226370
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 107267149
1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 103271064

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol?
The IUPAC name of [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol (CID 126798808) is [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol?
The canonical SMILES for [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol is CC(C)C(NCc1cscn1)C1(CO)CCC1.
What is the InChIKey of [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol?
The InChIKey is MUDXBGPBSFEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)12(13(8-16)4-3-5-13)14-6-11-7-17-9-15-11/h7,9-10,12,14,16H,3-6,8H2,1-2H3.
What are the key properties of [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol?
[1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propyl]cyclobutyl]methanol is sourced from PubChem (CID 126798808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).