1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C10H13ClN4S — CID 79765350

IUPAC1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cnc(Cl)s1
InChIInChI=1S/C10H13ClN4S/c1-14(5-8-3-13-15(2)6-8)7-9-4-12-10(11)16-9/h3-4,6H,5,7H2,1-2H3
InChIKeyIIOMDRAWNSBMAH-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.16
Rot. Bonds4

About 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 79765350) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID79765350
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cnc(Cl)s1
InChIInChI=1S/C10H13ClN4S/c1-14(5-8-3-13-15(2)6-8)7-9-4-12-10(11)16-9/h3-4,6H,5,7H2,1-2H3
InChIKeyIIOMDRAWNSBMAH-UHFFFAOYSA-N
XLogP2.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 79765216
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79764595
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115681800
N-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208786
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 79764459
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 79765350) is 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is CN(Cc1cnn(C)c1)Cc1cnc(Cl)s1.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is IIOMDRAWNSBMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-14(5-8-3-13-15(2)6-8)7-9-4-12-10(11)16-9/h3-4,6H,5,7H2,1-2H3.
What are the key properties of 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 256.76 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 79765350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).