2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

C9H16N2S — CID 61326610

IUPAC2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCc1nccs1
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-10-6-8-11-4-5-12-8/h4-5,10H,6-7H2,1-3H3
InChIKeyHYIUVSRGQFZTPM-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.28
Rot. Bonds3

About 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (PubChem CID 61326610) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
PubChem CID61326610
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCc1nccs1
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-10-6-8-11-4-5-12-8/h4-5,10H,6-7H2,1-3H3
InChIKeyHYIUVSRGQFZTPM-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
CID 65266835
4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 103897626
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
CID 103714773
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 60961813

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (CID 61326610) is 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is CC(C)(C)CNCc1nccs1.
What is the InChIKey of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The InChIKey is HYIUVSRGQFZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,3)7-10-6-8-11-4-5-12-8/h4-5,10H,6-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 61326610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).