5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C13H23N3S — CID 79393376

IUPAC5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)CC2CC2C)sc1CN
InChIInChI=1S/C13H23N3S/c1-8(2)12-11(6-14)17-13(15-12)16(4)7-10-5-9(10)3/h8-10H,5-7,14H2,1-4H3
InChIKeyZCSCOYQYOBYWFJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.82
Rot. Bonds5

About 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79393376) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79393376
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)CC2CC2C)sc1CN
InChIInChI=1S/C13H23N3S/c1-8(2)12-11(6-14)17-13(15-12)16(4)7-10-5-9(10)3/h8-10H,5-7,14H2,1-4H3
InChIKeyZCSCOYQYOBYWFJ-UHFFFAOYSA-N
XLogP2.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 79393376) is 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N(C)CC2CC2C)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is ZCSCOYQYOBYWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-8(2)12-11(6-14)17-13(15-12)16(4)7-10-5-9(10)3/h8-10H,5-7,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79393376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).