N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

C10H19N3S — CID 112640882

IUPACN'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1cncs1
InChIInChI=1S/C10H19N3S/c1-9(2)12-4-5-13(3)7-10-6-11-8-14-10/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyJCLRCBHKDLEYOL-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.57
Rot. Bonds6

About N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 112640882) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID112640882
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1cncs1
InChIInChI=1S/C10H19N3S/c1-9(2)12-4-5-13(3)7-10-6-11-8-14-10/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyJCLRCBHKDLEYOL-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (CID 112640882) is N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is CC(C)NCCN(C)Cc1cncs1.
What is the InChIKey of N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is JCLRCBHKDLEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(2)12-4-5-13(3)7-10-6-11-8-14-10/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 112640882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).