N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

C9H16ClN3S — CID 66568672

IUPACN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1cnc(Cl)s1
InChIInChI=1S/C9H16ClN3S/c1-7(2)13(4-3-11)6-8-5-12-9(10)14-8/h5,7H,3-4,6,11H2,1-2H3
InChIKeyCFGCYIYOSAQVPK-UHFFFAOYSA-N
MW233.77 g/mol
LogP1.97
Rot. Bonds5

About N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 66568672) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID66568672
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC NameN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1cnc(Cl)s1
InChIInChI=1S/C9H16ClN3S/c1-7(2)13(4-3-11)6-8-5-12-9(10)14-8/h5,7H,3-4,6,11H2,1-2H3
InChIKeyCFGCYIYOSAQVPK-UHFFFAOYSA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 66568672) is N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)Cc1cnc(Cl)s1.
What is the InChIKey of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is CFGCYIYOSAQVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3S/c1-7(2)13(4-3-11)6-8-5-12-9(10)14-8/h5,7H,3-4,6,11H2,1-2H3.
What are the key properties of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 233.77 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 66568672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).