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

C12H22N2S — CID 79412381

IUPACN-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCc1ncc(CNCC(C)C)s1
InChIInChI=1S/C12H22N2S/c1-4-5-6-12-14-9-11(15-12)8-13-7-10(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyRVEIYMRSRMBMPC-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.23
Rot. Bonds7

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

N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 79412381) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID79412381
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCc1ncc(CNCC(C)C)s1
InChIInChI=1S/C12H22N2S/c1-4-5-6-12-14-9-11(15-12)8-13-7-10(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyRVEIYMRSRMBMPC-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402711
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
2-methyl-N-[[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82425017
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82423991
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65138412
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
2-methyl-N-[[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424993
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65322638

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 79412381) is N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CCCCc1ncc(CNCC(C)C)s1.
What is the InChIKey of N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is RVEIYMRSRMBMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-5-6-12-14-9-11(15-12)8-13-7-10(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79412381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).