N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine

C16H29N3S — CID 78917407

IUPACN-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CCC(C)C)C2CC2)nc1CC
InChIInChI=1S/C16H29N3S/c1-5-14-15(11-17-6-2)20-16(18-14)19(13-7-8-13)10-9-12(3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyHDVFKPGTYUDTBZ-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.83
Rot. Bonds9

About N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine

N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 78917407) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID78917407
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CCC(C)C)C2CC2)nc1CC
InChIInChI=1S/C16H29N3S/c1-5-14-15(11-17-6-2)20-16(18-14)19(13-7-8-13)10-9-12(3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyHDVFKPGTYUDTBZ-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 78917407) is N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine is CCNCc1sc(N(CCC(C)C)C2CC2)nc1CC.
What is the InChIKey of N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is HDVFKPGTYUDTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-14-15(11-17-6-2)20-16(18-14)19(13-7-8-13)10-9-12(3)4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine?
N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 78917407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).