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

C11H15N3S2 — CID 104599843

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cnc(C)s2)s1
InChIInChI=1S/C11H15N3S2/c1-3-4-9-5-13-11(16-9)14-7-10-6-12-8(2)15-10/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyIRAKVXLDHHNTCO-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.47
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine (PubChem CID 104599843) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
PubChem CID104599843
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cnc(C)s2)s1
InChIInChI=1S/C11H15N3S2/c1-3-4-9-5-13-11(16-9)14-7-10-6-12-8(2)15-10/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyIRAKVXLDHHNTCO-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 104599839
5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 104599847
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
5-propyl-N-(1,2-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 136574616
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine
CID 80897287
6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80807701
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
CID 86790671
N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
CID 79774348
2-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80934863
2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80960726
3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275798

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine (CID 104599843) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine is CCCc1cnc(NCc2cnc(C)s2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
The InChIKey is IRAKVXLDHHNTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-3-4-9-5-13-11(16-9)14-7-10-6-12-8(2)15-10/h5-6H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine has a molecular weight of 253.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 104599843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).