2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine

C12H23N3S — CID 65267138

IUPAC2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
SMILESCc1ncsc1CNCC(C)(C)C(C)(C)N
InChIInChI=1S/C12H23N3S/c1-9-10(16-8-15-9)6-14-7-11(2,3)12(4,5)13/h8,14H,6-7,13H2,1-5H3
InChIKeyPLPDKWVYUOEECU-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.30
Rot. Bonds5

About 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine

2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine (PubChem CID 65267138) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
PubChem CID65267138
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
SMILESCc1ncsc1CNCC(C)(C)C(C)(C)N
InChIInChI=1S/C12H23N3S/c1-9-10(16-8-15-9)6-14-7-11(2,3)12(4,5)13/h8,14H,6-7,13H2,1-5H3
InChIKeyPLPDKWVYUOEECU-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115667007
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115653284
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
CID 65266835
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582
2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 111466873
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111468248
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine?
The IUPAC name of 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine (CID 65267138) is 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine is Cc1ncsc1CNCC(C)(C)C(C)(C)N.
What is the InChIKey of 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine?
The InChIKey is PLPDKWVYUOEECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-9-10(16-8-15-9)6-14-7-11(2,3)12(4,5)13/h8,14H,6-7,13H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine?
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 65267138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).