4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine

C6H11N3S — CID 28948815

IUPAC4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CN)cs1
InChIInChI=1S/C6H11N3S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3,7H2,1-2H3
InChIKeyIOXPXNBQZCSGME-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.67
Rot. Bonds2

About 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine

4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 28948815) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID28948815
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CN)cs1
InChIInChI=1S/C6H11N3S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3,7H2,1-2H3
InChIKeyIOXPXNBQZCSGME-UHFFFAOYSA-N
XLogP0.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine (CID 28948815) is 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is IOXPXNBQZCSGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3,7H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine?
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 157.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 28948815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).