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

C12H16BrN3S2 — CID 62766846

IUPAC5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2cc(Br)cs2)sc1CN
InChIInChI=1S/C12H16BrN3S2/c1-3-10-11(5-14)18-12(15-10)16(2)6-9-4-8(13)7-17-9/h4,7H,3,5-6,14H2,1-2H3
InChIKeyNTCMQEXRFCHKFP-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.62
Rot. Bonds5

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

5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 62766846) has the molecular formula C12H16BrN3S2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
PubChem CID62766846
Molecular FormulaC12H16BrN3S2
Molecular Weight346.32 g/mol
Exact Mass345.00
IUPAC Name5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2cc(Br)cs2)sc1CN
InChIInChI=1S/C12H16BrN3S2/c1-3-10-11(5-14)18-12(15-10)16(2)6-9-4-8(13)7-17-9/h4,7H,3,5-6,14H2,1-2H3
InChIKeyNTCMQEXRFCHKFP-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine (CID 62766846) is 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine is CCc1nc(N(C)Cc2cc(Br)cs2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NTCMQEXRFCHKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S2/c1-3-10-11(5-14)18-12(15-10)16(2)6-9-4-8(13)7-17-9/h4,7H,3,5-6,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 346.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).