2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole

C8H12ClN3S — CID 130856912

IUPAC2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole
SMILESClc1ncc(CN2CCCCN2)s1
InChIInChI=1S/C8H12ClN3S/c9-8-10-5-7(13-8)6-12-4-2-1-3-11-12/h5,11H,1-4,6H2
InChIKeyBFFVNKWWERXPTN-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.90
Rot. Bonds2

About 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole

2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole (PubChem CID 130856912) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole
PubChem CID130856912
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole
SMILESClc1ncc(CN2CCCCN2)s1
InChIInChI=1S/C8H12ClN3S/c9-8-10-5-7(13-8)6-12-4-2-1-3-11-12/h5,11H,1-4,6H2
InChIKeyBFFVNKWWERXPTN-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diazinan-1-ylmethyl)pyrimidine
CID 131003135
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
5-(diazinan-1-ylmethyl)-1,2,4-oxadiazole
CID 131198300
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazinan-2-ylidene]nitramide
CID 135852985
2-chloro-5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 79765484
1-[(2-chloro-1,3-thiazol-5-yl)methyl]azepane-2,7-dione
CID 79765235
2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide
CID 131123308
1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione
CID 79764600
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 86318021
5-(pyrazolidin-1-ylmethyl)-1H-imidazole
CID 130856083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole (CID 130856912) is 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole is Clc1ncc(CN2CCCCN2)s1.
What is the InChIKey of 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole?
The InChIKey is BFFVNKWWERXPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c9-8-10-5-7(13-8)6-12-4-2-1-3-11-12/h5,11H,1-4,6H2.
What are the key properties of 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole?
2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole has a molecular weight of 217.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 130856912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).