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

C10H18N2S — CID 103096895

IUPAC3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCc1cnc(CNCCC(C)C)s1
InChIInChI=1S/C10H18N2S/c1-8(2)4-5-11-7-10-12-6-9(3)13-10/h6,8,11H,4-5,7H2,1-3H3
InChIKeyBTLYANCHGMTBCN-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.59
Rot. Bonds5

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

3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine (PubChem CID 103096895) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
PubChem CID103096895
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCc1cnc(CNCCC(C)C)s1
InChIInChI=1S/C10H18N2S/c1-8(2)4-5-11-7-10-12-6-9(3)13-10/h6,8,11H,4-5,7H2,1-3H3
InChIKeyBTLYANCHGMTBCN-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
2-Isobutyl-5-methylthiazole
CID 574811

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine (CID 103096895) is 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine is Cc1cnc(CNCCC(C)C)s1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The InChIKey is BTLYANCHGMTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)4-5-11-7-10-12-6-9(3)13-10/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 103096895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).