N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine

C16H29N3OS — CID 63938166

IUPACN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)CC2CC2)sc1CNCCOC
InChIInChI=1S/C16H29N3OS/c1-4-6-14-15(11-17-9-10-20-3)21-16(18-14)19(5-2)12-13-7-8-13/h13,17H,4-12H2,1-3H3
InChIKeyGJNGSIQTMAJKPK-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.07
Rot. Bonds11

About N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 63938166) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID63938166
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)CC2CC2)sc1CNCCOC
InChIInChI=1S/C16H29N3OS/c1-4-6-14-15(11-17-9-10-20-3)21-16(18-14)19(5-2)12-13-7-8-13/h13,17H,4-12H2,1-3H3
InChIKeyGJNGSIQTMAJKPK-UHFFFAOYSA-N
XLogP3.07
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.07
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

N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107510450
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083
N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 62767559
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63864245
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766747
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine (CID 63938166) is N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(CC)CC2CC2)sc1CNCCOC.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is GJNGSIQTMAJKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-6-14-15(11-17-9-10-20-3)21-16(18-14)19(5-2)12-13-7-8-13/h13,17H,4-12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63938166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).