4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine

C10H14N4S2 — CID 65485633

IUPAC4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(CNCCc2csc(N)n2)cs1
InChIInChI=1S/C10H14N4S2/c1-7-13-9(6-15-7)4-12-3-2-8-5-16-10(11)14-8/h5-6,12H,2-4H2,1H3,(H2,11,14)
InChIKeyYTLAILWDRPZPSD-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.82
Rot. Bonds5

About 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine

4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65485633) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
PubChem CID65485633
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(CNCCc2csc(N)n2)cs1
InChIInChI=1S/C10H14N4S2/c1-7-13-9(6-15-7)4-12-3-2-8-5-16-10(11)14-8/h5-6,12H,2-4H2,1H3,(H2,11,14)
InChIKeyYTLAILWDRPZPSD-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 106044942
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698521
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
5-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 106052573
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
CID 106052386
4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485255

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine (CID 65485633) is 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine is Cc1nc(CNCCc2csc(N)n2)cs1.
What is the InChIKey of 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is YTLAILWDRPZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-7-13-9(6-15-7)4-12-3-2-8-5-16-10(11)14-8/h5-6,12H,2-4H2,1H3,(H2,11,14).
What are the key properties of 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65485633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).