N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

C14H27N3S — CID 114168349

IUPACN'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCC(CC)C1CN=C(NCCN(C)C2CC2)S1
InChIInChI=1S/C14H27N3S/c1-4-11(5-2)13-10-16-14(18-13)15-8-9-17(3)12-6-7-12/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyOHFZPOYJMJZBAY-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.58
Rot. Bonds7

About N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 114168349) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID114168349
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCC(CC)C1CN=C(NCCN(C)C2CC2)S1
InChIInChI=1S/C14H27N3S/c1-4-11(5-2)13-10-16-14(18-13)15-8-9-17(3)12-6-7-12/h11-13H,4-10H2,1-3H3,(H,15,16)
InChIKeyOHFZPOYJMJZBAY-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 114168349) is N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is CCC(CC)C1CN=C(NCCN(C)C2CC2)S1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is OHFZPOYJMJZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-4-11(5-2)13-10-16-14(18-13)15-8-9-17(3)12-6-7-12/h11-13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114168349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).