5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine

C15H18ClN3S — CID 63918558

IUPAC5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccccc1Cl)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C15H18ClN3S/c1-19(9-11-4-2-3-5-12(11)16)15-18-14(10-6-7-10)13(8-17)20-15/h2-5,10H,6-9,17H2,1H3
InChIKeyYXPOXERXQKJMMB-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.77
Rot. Bonds5

About 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 63918558) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
PubChem CID63918558
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccccc1Cl)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C15H18ClN3S/c1-19(9-11-4-2-3-5-12(11)16)15-18-14(10-6-7-10)13(8-17)20-15/h2-5,10H,6-9,17H2,1H3
InChIKeyYXPOXERXQKJMMB-UHFFFAOYSA-N
XLogP3.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 63916162
2-N-[(2-chlorophenyl)methyl]-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977143
5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917357
5-(aminomethyl)-4-cyclopropyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917574
5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 63915785
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767057
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62749851
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231007
5-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62767236
[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361924
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514434

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine (CID 63918558) is 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine is CN(Cc1ccccc1Cl)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is YXPOXERXQKJMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-19(9-11-4-2-3-5-12(11)16)15-18-14(10-6-7-10)13(8-17)20-15/h2-5,10H,6-9,17H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 307.85 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63918558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).