N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine

C9H11N3S2 — CID 79048062

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(C)c(CNc2nccs2)s1
InChIInChI=1S/C9H11N3S2/c1-6-8(14-7(2)12-6)5-11-9-10-3-4-13-9/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyHHOCXGQKOKFRRF-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.83
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79048062) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79048062
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(C)c(CNc2nccs2)s1
InChIInChI=1S/C9H11N3S2/c1-6-8(14-7(2)12-6)5-11-9-10-3-4-13-9/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyHHOCXGQKOKFRRF-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133493717
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79046614
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 60754232
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
CID 86805535
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 115924599
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 154735469
2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline
CID 104726419

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine (CID 79048062) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(C)c(CNc2nccs2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HHOCXGQKOKFRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-8(14-7(2)12-6)5-11-9-10-3-4-13-9/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79048062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).