2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine

C10H19N3S — CID 115732191

IUPAC2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine
SMILESCCC(CNCc1cncs1)N(C)C
InChIInChI=1S/C10H19N3S/c1-4-9(13(2)3)5-11-6-10-7-12-8-14-10/h7-9,11H,4-6H2,1-3H3
InChIKeyRHJWVODLJQSAEI-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.57
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine

2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine (PubChem CID 115732191) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine
PubChem CID115732191
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine
SMILESCCC(CNCc1cncs1)N(C)C
InChIInChI=1S/C10H19N3S/c1-4-9(13(2)3)5-11-6-10-7-12-8-14-10/h7-9,11H,4-6H2,1-3H3
InChIKeyRHJWVODLJQSAEI-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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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
1-(1,3-Thiazol-5-yl)ethan-1-amine
CID 19817653
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
Methyl(1,3-thiazol-5-ylmethyl)amine
CID 45121664
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
[(2-Chloro-1,3-thiazol-5-yl)methyl](2-methylpropyl)amine hydrochloride
CID 154814392
N-[(1,3-thiazol-5-yl)methyl]cyclopropanamine hydrochloride
CID 156592108
N-[(1,3-thiazol-5-yl)methyl]cyclopentanamine hydrochloride
CID 167721682
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 75517933
2,2,3-trimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 91650456

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine (CID 115732191) is 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine is CCC(CNCc1cncs1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine?
The InChIKey is RHJWVODLJQSAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-9(13(2)3)5-11-6-10-7-12-8-14-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-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 2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 115732191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).