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

C15H23N3S2 — CID 114365476

IUPACN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(Cc2nc(C(C)C)c(CNC(C)C)s2)cs1
InChIInChI=1S/C15H23N3S2/c1-9(2)15-13(7-16-10(3)4)20-14(18-15)6-12-8-19-11(5)17-12/h8-10,16H,6-7H2,1-5H3
InChIKeyDLAGAYMEKQECKB-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.12
Rot. Bonds6

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

N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114365476) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114365476
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(Cc2nc(C(C)C)c(CNC(C)C)s2)cs1
InChIInChI=1S/C15H23N3S2/c1-9(2)15-13(7-16-10(3)4)20-14(18-15)6-12-8-19-11(5)17-12/h8-10,16H,6-7H2,1-5H3
InChIKeyDLAGAYMEKQECKB-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434348
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024019
N-[[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82435229
N-[[4-tert-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362663
N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366552
N-[[4-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841888
N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365417
N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62501019
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719449
N-[[2-(5-methylpyrimidin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365464
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63326875

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114365476) is N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(Cc2nc(C(C)C)c(CNC(C)C)s2)cs1.
What is the InChIKey of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is DLAGAYMEKQECKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-9(2)15-13(7-16-10(3)4)20-14(18-15)6-12-8-19-11(5)17-12/h8-10,16H,6-7H2,1-5H3.
What are the key properties of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 309.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114365476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).