N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C15H23N3S2 — CID 82438277

IUPACN-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCCNc1nc(-c2sc(C)nc2C(C)(C)C)cs1
InChIInChI=1S/C15H23N3S2/c1-6-7-8-16-14-18-11(9-19-14)12-13(15(3,4)5)17-10(2)20-12/h9H,6-8H2,1-5H3,(H,16,18)
InChIKeyKBMUDOGQQDYVFQ-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.08
Rot. Bonds5

About N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82438277) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82438277
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC NameN-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCCNc1nc(-c2sc(C)nc2C(C)(C)C)cs1
InChIInChI=1S/C15H23N3S2/c1-6-7-8-16-14-18-11(9-19-14)12-13(15(3,4)5)17-10(2)20-12/h9H,6-8H2,1-5H3,(H,16,18)
InChIKeyKBMUDOGQQDYVFQ-UHFFFAOYSA-N
XLogP5.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273
N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82439892
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82438275
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82428139
4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438223
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363
N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82427850
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2902374
4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82439938

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82438277) is N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCCCNc1nc(-c2sc(C)nc2C(C)(C)C)cs1.
What is the InChIKey of N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is KBMUDOGQQDYVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-6-7-8-16-14-18-11(9-19-14)12-13(15(3,4)5)17-10(2)20-12/h9H,6-8H2,1-5H3,(H,16,18).
What are the key properties of N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 309.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82438277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).