N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine

C10H18N2S — CID 115877032

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(CNCC(C)C)c(C)s1
InChIInChI=1S/C10H18N2S/c1-7(2)5-11-6-10-8(3)13-9(4)12-10/h7,11H,5-6H2,1-4H3
InChIKeyLRQJFNYCKIMWOS-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.51
Rot. Bonds4

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 115877032) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID115877032
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(CNCC(C)C)c(C)s1
InChIInChI=1S/C10H18N2S/c1-7(2)5-11-6-10-8(3)13-9(4)12-10/h7,11H,5-6H2,1-4H3
InChIKeyLRQJFNYCKIMWOS-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine
CID 115888092
2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82431222
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine
CID 115896787
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115774643
1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 100611604
2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 110465467
2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide
CID 166428005
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1-(furan-3-yl)ethanamine
CID 115896778
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 64539742
N-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64534830

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine (CID 115877032) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine is Cc1nc(CNCC(C)C)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is LRQJFNYCKIMWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)5-11-6-10-8(3)13-9(4)12-10/h7,11H,5-6H2,1-4H3.
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115877032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).