N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C16H27N3S — CID 63917342

IUPACN,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1nc(C2CC2)c(CNCC(C)C)s1)C1CC1
InChIInChI=1S/C16H27N3S/c1-4-19(13-7-8-13)16-18-15(12-5-6-12)14(20-16)10-17-9-11(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyLMDXNIGTKJHHJG-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.75
Rot. Bonds8

About N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 63917342) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID63917342
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1nc(C2CC2)c(CNCC(C)C)s1)C1CC1
InChIInChI=1S/C16H27N3S/c1-4-19(13-7-8-13)16-18-15(12-5-6-12)14(20-16)10-17-9-11(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyLMDXNIGTKJHHJG-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 63917342) is N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CCN(c1nc(C2CC2)c(CNCC(C)C)s1)C1CC1.
What is the InChIKey of N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is LMDXNIGTKJHHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-4-19(13-7-8-13)16-18-15(12-5-6-12)14(20-16)10-17-9-11(2)3/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63917342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).