2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine

C10H18N2S — CID 61332596

IUPAC2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCCNC(c1nccs1)C(C)C
InChIInChI=1S/C10H18N2S/c1-4-5-11-9(8(2)3)10-12-6-7-13-10/h6-9,11H,4-5H2,1-3H3
InChIKeyKKUNJNRXPPUUEC-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine

2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 61332596) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID61332596
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCCNC(c1nccs1)C(C)C
InChIInChI=1S/C10H18N2S/c1-4-5-11-9(8(2)3)10-12-6-7-13-10/h6-9,11H,4-5H2,1-3H3
InChIKeyKKUNJNRXPPUUEC-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine
CID 61330921
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
CID 62543117
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894
5-[1-(propylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962103
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
CID 107133293
N-[(5-bromo-2-pyridinyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 113393885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine (CID 61332596) is 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine is CCCNC(c1nccs1)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is KKUNJNRXPPUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-5-11-9(8(2)3)10-12-6-7-13-10/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine?
2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 61332596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).