4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine

C15H21N3S2 — CID 82435996

IUPAC4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(C(C)C)nc2C2CC2)cs1
InChIInChI=1S/C15H21N3S2/c1-4-7-16-15-17-11(8-19-15)13-12(10-5-6-10)18-14(20-13)9(2)3/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyVLSLQDQEQXQDHN-UHFFFAOYSA-N
MW307.49 g/mol
LogP5.09
Rot. Bonds6

About 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine

4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 82435996) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID82435996
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(C(C)C)nc2C2CC2)cs1
InChIInChI=1S/C15H21N3S2/c1-4-7-16-15-17-11(8-19-15)13-12(10-5-6-10)18-14(20-13)9(2)3/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyVLSLQDQEQXQDHN-UHFFFAOYSA-N
XLogP5.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine with MolForge

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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-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82436989
4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82514661
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
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82423690
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82432281
4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423655
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine (CID 82435996) is 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2sc(C(C)C)nc2C2CC2)cs1.
What is the InChIKey of 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is VLSLQDQEQXQDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-4-7-16-15-17-11(8-19-15)13-12(10-5-6-10)18-14(20-13)9(2)3/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine?
4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 307.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82435996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).