3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol

C8H14N2OS — CID 65169320

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCc1nc(NCCCO)sc1C
InChIInChI=1S/C8H14N2OS/c1-6-7(2)12-8(10-6)9-4-3-5-11/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyPOHFEUPMVCLBLJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.55
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol (PubChem CID 65169320) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol
PubChem CID65169320
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCc1nc(NCCCO)sc1C
InChIInChI=1S/C8H14N2OS/c1-6-7(2)12-8(10-6)9-4-3-5-11/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyPOHFEUPMVCLBLJ-UHFFFAOYSA-N
XLogP1.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,4,5-trimethyl-1,3-thiazol-2-amine
CID 17763823
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-isopropylurea
CID 16654058
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-[2-(3-hydroxypropylsulfanyl)ethyl]urea
CID 53619170
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxybutyl)urea
CID 71931127
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97067115
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-ethylthiourea
CID 13878932
4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 65168270
4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 65168667
4,5-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
CID 80403586
N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 103081420
3-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103749834
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazol-2-amine
CID 104854607

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol (CID 65169320) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol is Cc1nc(NCCCO)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The InChIKey is POHFEUPMVCLBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-7(2)12-8(10-6)9-4-3-5-11/h11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 65169320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).