4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

C15H23N3S2 — CID 62766762

IUPAC4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2cccs2)sc1CNC(C)C
InChIInChI=1S/C15H23N3S2/c1-5-13-14(9-16-11(2)3)20-15(17-13)18(4)10-12-7-6-8-19-12/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyBRMFNHJSXUVDHC-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.90
Rot. Bonds7

About 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62766762) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62766762
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC Name4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2cccs2)sc1CNC(C)C
InChIInChI=1S/C15H23N3S2/c1-5-13-14(9-16-11(2)3)20-15(17-13)18(4)10-12-7-6-8-19-12/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyBRMFNHJSXUVDHC-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 107509773
N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62767058
5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79494190
N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768303
N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62501019
N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768154
4-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79311640
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556484
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (CID 62766762) is 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)Cc2cccs2)sc1CNC(C)C.
What is the InChIKey of 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is BRMFNHJSXUVDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-5-13-14(9-16-11(2)3)20-15(17-13)18(4)10-12-7-6-8-19-12/h6-8,11,16H,5,9-10H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 309.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).