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

C12H17N3S2 — CID 82426558

IUPACN-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(CC(C)C)nc2C)cs1
InChIInChI=1S/C12H17N3S2/c1-7(2)5-10-14-8(3)11(17-10)9-6-16-12(13-4)15-9/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyRJDGNDUWEXRLNB-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.82
Rot. Bonds4

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

N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82426558) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82426558
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(CC(C)C)nc2C)cs1
InChIInChI=1S/C12H17N3S2/c1-7(2)5-10-14-8(3)11(17-10)9-6-16-12(13-4)15-9/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyRJDGNDUWEXRLNB-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82434613
N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82427609
N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58584175
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429533
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 170209260
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82426558) is N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CNc1nc(-c2sc(CC(C)C)nc2C)cs1.
What is the InChIKey of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is RJDGNDUWEXRLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-7(2)5-10-14-8(3)11(17-10)9-6-16-12(13-4)15-9/h6-7H,5H2,1-4H3,(H,13,15).
What are the key properties of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82426558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).