1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine

C10H18N2S — CID 105078510

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1csc(C)n1
InChIInChI=1S/C10H18N2S/c1-4-6-11-9(5-2)10-7-13-8(3)12-10/h7,9,11H,4-6H2,1-3H3
InChIKeyCQZMWDNMURQSDU-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine

1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine (PubChem CID 105078510) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
PubChem CID105078510
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1csc(C)n1
InChIInChI=1S/C10H18N2S/c1-4-6-11-9(5-2)10-7-13-8(3)12-10/h7,9,11H,4-6H2,1-3H3
InChIKeyCQZMWDNMURQSDU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-1-amine
CID 105176678
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
N-[2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105088934
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
N-[2-(2-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105087377
N-[2-(3-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105089526
N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105162517
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105174053
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 65199096
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine (CID 105078510) is 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine is CCCNC(CC)c1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is CQZMWDNMURQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-6-11-9(5-2)10-7-13-8(3)12-10/h7,9,11H,4-6H2,1-3H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine?
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105078510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).