N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C13H19N3S2 — CID 82422498

IUPACN-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1ncc(-c2csc(NCC(C)C)n2)s1
InChIInChI=1S/C13H19N3S2/c1-4-5-12-14-7-11(18-12)10-8-17-13(16-10)15-6-9(2)3/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyGHUMOGRXMXDOFZ-UHFFFAOYSA-N
MW281.45 g/mol
LogP4.29
Rot. Bonds6

About N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82422498) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82422498
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC NameN-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1ncc(-c2csc(NCC(C)C)n2)s1
InChIInChI=1S/C13H19N3S2/c1-4-5-12-14-7-11(18-12)10-8-17-13(16-10)15-6-9(2)3/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyGHUMOGRXMXDOFZ-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82422365
4-[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82424630
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423575
N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82514661
N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424904
4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423315
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
CID 131042698
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82422498) is N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCCc1ncc(-c2csc(NCC(C)C)n2)s1.
What is the InChIKey of N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is GHUMOGRXMXDOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-4-5-12-14-7-11(18-12)10-8-17-13(16-10)15-6-9(2)3/h7-9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 281.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82422498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).