1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol

C9H15N3OS — CID 130542438

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol
SMILESCc1csc(N2CCNCC(O)C2)n1
InChIInChI=1S/C9H15N3OS/c1-7-6-14-9(11-7)12-3-2-10-4-8(13)5-12/h6,8,10,13H,2-5H2,1H3
InChIKeyDDXXOUKRWGNFAL-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.22
Rot. Bonds1

About 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol

1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol (PubChem CID 130542438) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol
PubChem CID130542438
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol
SMILESCc1csc(N2CCNCC(O)C2)n1
InChIInChI=1S/C9H15N3OS/c1-7-6-14-9(11-7)12-3-2-10-4-8(13)5-12/h6,8,10,13H,2-5H2,1H3
InChIKeyDDXXOUKRWGNFAL-UHFFFAOYSA-N
XLogP0.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-6-ol
CID 130542427
4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole
CID 82673560
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861
N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
CID 171335280
(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 104892830
1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanol
CID 106837283
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 103577705
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol (CID 130542438) is 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol is Cc1csc(N2CCNCC(O)C2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol?
The InChIKey is DDXXOUKRWGNFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-6-14-9(11-7)12-3-2-10-4-8(13)5-12/h6,8,10,13H,2-5H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol?
1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol has a molecular weight of 213.31 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-6-ol is sourced from PubChem (CID 130542438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).