2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol

C10H16ClN3O3S2 — CID 107216901

IUPAC2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCN(CCO)CC1
InChIInChI=1S/C10H16ClN3O3S2/c11-10-12-8-9(18-10)19(16,17)14-3-1-2-13(4-5-14)6-7-15/h8,15H,1-7H2
InChIKeyNVMVVDIESFEGEC-UHFFFAOYSA-N
MW325.84 g/mol
LogP0.49
Rot. Bonds4

About 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol

2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107216901) has the molecular formula C10H16ClN3O3S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol
PubChem CID107216901
Molecular FormulaC10H16ClN3O3S2
Molecular Weight325.84 g/mol
Exact Mass325.03
IUPAC Name2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCN(CCO)CC1
InChIInChI=1S/C10H16ClN3O3S2/c11-10-12-8-9(18-10)19(16,17)14-3-1-2-13(4-5-14)6-7-15/h8,15H,1-7H2
InChIKeyNVMVVDIESFEGEC-UHFFFAOYSA-N
XLogP0.49
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 103833928
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-thiazepane
CID 61419635
2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 61042545
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carbothioamide
CID 106272011
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 61047456
2-[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310054
2-[4-(2-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309886
2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309889
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107223463
2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
CID 64606200
2-[4-(2-chloroethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 107652652

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol (CID 107216901) is 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol is O=S(=O)(c1cnc(Cl)s1)N1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is NVMVVDIESFEGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S2/c11-10-12-8-9(18-10)19(16,17)14-3-1-2-13(4-5-14)6-7-15/h8,15H,1-7H2.
What are the key properties of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 325.84 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107216901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).