N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

C16H29N3OS — CID 63918309

IUPACN-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(C2CC2)c(CNCCOC)s1
InChIInChI=1S/C16H29N3OS/c1-5-12(3)19(6-2)16-18-15(13-7-8-13)14(21-16)11-17-9-10-20-4/h12-13,17H,5-11H2,1-4H3
InChIKeyCKRKYMFFERRBON-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.38
Rot. Bonds10

About N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 63918309) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID63918309
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(C2CC2)c(CNCCOC)s1
InChIInChI=1S/C16H29N3OS/c1-5-12(3)19(6-2)16-18-15(13-7-8-13)14(21-16)11-17-9-10-20-4/h12-13,17H,5-11H2,1-4H3
InChIKeyCKRKYMFFERRBON-UHFFFAOYSA-N
XLogP3.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-butan-2-yl-4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63917923
4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82735074
4-cyclopropyl-N-(2-methoxyethyl)-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965606
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
[4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63918393
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63917342
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766747
N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82437446

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (CID 63918309) is N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is CCC(C)N(CC)c1nc(C2CC2)c(CNCCOC)s1.
What is the InChIKey of N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is CKRKYMFFERRBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-12(3)19(6-2)16-18-15(13-7-8-13)14(21-16)11-17-9-10-20-4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.38, 10 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-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63918309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).