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

C10H15N5S — CID 129396971

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)Cc1nncn1C
InChIInChI=1S/C10H15N5S/c1-8-9(16-7-11-8)4-14(2)5-10-13-12-6-15(10)3/h6-7H,4-5H2,1-3H3
InChIKeyBFSWGUNWPDANKT-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.21
Rot. Bonds4

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

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 129396971) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID129396971
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)Cc1nncn1C
InChIInChI=1S/C10H15N5S/c1-8-9(16-7-11-8)4-14(2)5-10-13-12-6-15(10)3/h6-7H,4-5H2,1-3H3
InChIKeyBFSWGUNWPDANKT-UHFFFAOYSA-N
XLogP1.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928246
4-Methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53192557
4-Methyl-5-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53192566
4-methyl-5-{[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}-1,3-thiazole
CID 53192765
5-{[3-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}-4-methyl-1,3-thiazole
CID 53192771
5-[[2-[4-(Cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 87052198
2-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
CID 71971971
4,5-Dimethyl-2-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
CID 75425650
1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77087286
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 129619067
2-Methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol
CID 131907874
1-butyl-3-isopropyl-5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole
CID 131931088

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 129396971) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1ncsc1CN(C)Cc1nncn1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is BFSWGUNWPDANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-8-9(16-7-11-8)4-14(2)5-10-13-12-6-15(10)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 237.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 129396971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).