N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine

C14H20N2S2 — CID 61347725

IUPACN-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine
SMILESCC(C)NC(c1cccs1)c1nc(C(C)C)cs1
InChIInChI=1S/C14H20N2S2/c1-9(2)11-8-18-14(16-11)13(15-10(3)4)12-6-5-7-17-12/h5-10,13,15H,1-4H3
InChIKeyLWOGIPUEMJYNTK-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.42
Rot. Bonds5

About N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine

N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine (PubChem CID 61347725) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine
PubChem CID61347725
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC NameN-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine
SMILESCC(C)NC(c1cccs1)c1nc(C(C)C)cs1
InChIInChI=1S/C14H20N2S2/c1-9(2)11-8-18-14(16-11)13(15-10(3)4)12-6-5-7-17-12/h5-10,13,15H,1-4H3
InChIKeyLWOGIPUEMJYNTK-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propan-2-yl-1,3-thiazol-2-yl)-pyridin-3-ylmethyl]propan-2-amine
CID 61336198
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
N-[(4-ethylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334433
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66162436
N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66133298
2-ethyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61334636
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 61345199
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246
2-propan-2-ylthiophene
CID 178128598
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61332142

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine?
The IUPAC name of N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine (CID 61347725) is N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine.
What is the SMILES notation for N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine?
The canonical SMILES for N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine is CC(C)NC(c1cccs1)c1nc(C(C)C)cs1.
What is the InChIKey of N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine?
The InChIKey is LWOGIPUEMJYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-9(2)11-8-18-14(16-11)13(15-10(3)4)12-6-5-7-17-12/h5-10,13,15H,1-4H3.
What are the key properties of N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine?
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine is sourced from PubChem (CID 61347725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).