N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C15H23N3S2 — CID 82428283

IUPACN-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(C(C)C)sc1-c1csc(NC(C)CC)n1
InChIInChI=1S/C15H23N3S2/c1-6-10(5)16-15-18-12(8-19-15)13-11(7-2)17-14(20-13)9(3)4/h8-10H,6-7H2,1-5H3,(H,16,18)
InChIKeyJCZSHDGRGNHSEO-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.16
Rot. Bonds6

About N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82428283) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82428283
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC NameN-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(C(C)C)sc1-c1csc(NC(C)CC)n1
InChIInChI=1S/C15H23N3S2/c1-6-10(5)16-15-18-12(8-19-15)13-11(7-2)17-14(20-13)9(3)4/h8-10H,6-7H2,1-5H3,(H,16,18)
InChIKeyJCZSHDGRGNHSEO-UHFFFAOYSA-N
XLogP5.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431379
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82435926
N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 82452103
N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424904
4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82435996

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82428283) is N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCc1nc(C(C)C)sc1-c1csc(NC(C)CC)n1.
What is the InChIKey of N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is JCZSHDGRGNHSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-6-10(5)16-15-18-12(8-19-15)13-11(7-2)17-14(20-13)9(3)4/h8-10H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 309.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82428283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).