5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine

C12H23N3S — CID 79396248

IUPAC5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
SMILESCCN(c1nc(C(C)C)c(CN)s1)C(C)C
InChIInChI=1S/C12H23N3S/c1-6-15(9(4)5)12-14-11(8(2)3)10(7-13)16-12/h8-9H,6-7,13H2,1-5H3
InChIKeyTYCYBOXKRQQIGM-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.96
Rot. Bonds5

About 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79396248) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
PubChem CID79396248
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
SMILESCCN(c1nc(C(C)C)c(CN)s1)C(C)C
InChIInChI=1S/C12H23N3S/c1-6-15(9(4)5)12-14-11(8(2)3)10(7-13)16-12/h8-9H,6-7,13H2,1-5H3
InChIKeyTYCYBOXKRQQIGM-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine (CID 79396248) is 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine is CCN(c1nc(C(C)C)c(CN)s1)C(C)C.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is TYCYBOXKRQQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-15(9(4)5)12-14-11(8(2)3)10(7-13)16-12/h8-9H,6-7,13H2,1-5H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79396248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).