N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine

C11H21N3S — CID 62592142

IUPACN-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCc1csc(N(C)CCNC(C)(C)C)n1
InChIInChI=1S/C11H21N3S/c1-9-8-15-10(13-9)14(5)7-6-12-11(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyQPHRWXBSULYVRQ-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.28
Rot. Bonds4

About N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 62592142) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID62592142
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCc1csc(N(C)CCNC(C)(C)C)n1
InChIInChI=1S/C11H21N3S/c1-9-8-15-10(13-9)14(5)7-6-12-11(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyQPHRWXBSULYVRQ-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62585477
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 60870998
4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 116558009
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
CID 10446160
N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63873229
N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 143504672
4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 105418585
N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998287
N-(2-bromoethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107490316

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 62592142) is N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine is Cc1csc(N(C)CCNC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is QPHRWXBSULYVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9-8-15-10(13-9)14(5)7-6-12-11(2,3)4/h8,12H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 227.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62592142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).