1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C11H14ClN3S — CID 115693290

IUPAC1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cc(Cl)cn2C)cs1
InChIInChI=1S/C11H14ClN3S/c1-8-14-10(7-16-8)4-13-5-11-3-9(12)6-15(11)2/h3,6-7,13H,4-5H2,1-2H3
InChIKeyGNLQGDCHMNHUIT-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 115693290) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID115693290
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cc(Cl)cn2C)cs1
InChIInChI=1S/C11H14ClN3S/c1-8-14-10(7-16-8)4-13-5-11-3-9(12)6-15(11)2/h3,6-7,13H,4-5H2,1-2H3
InChIKeyGNLQGDCHMNHUIT-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 62131520
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 115693292
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
1-(2-bromo-5-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 66158993
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115693317
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413347
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
1-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961012
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115693305
1-(3-chloro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65021948

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 115693290) is 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2cc(Cl)cn2C)cs1.
What is the InChIKey of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is GNLQGDCHMNHUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-8-14-10(7-16-8)4-13-5-11-3-9(12)6-15(11)2/h3,6-7,13H,4-5H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 255.77 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115693290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).